SCHEMBL482925

SCHEMBL482925

Clc1ccc(-c2[c]n[nH]c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
POLB P06746 1/20 0.35
PTPN11 Q06124 1/20 0.35
CYP1A2 P05177 1/20 0.34
RPA1 P27694 1/20 0.34
METAP2 P50579 1/20 0.34
GCGR P47871 1/20 0.34
AKT2 P31751 4/20 0.34
AKT1 P31749 1/20 0.34
AKT3 Q9Y243 1/20 0.34
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ALPL P05186 1/20 0.32
TDO2 P48775 1/20 0.32
RECQL P46063 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL69610 0.78 AKT1 (0.40) NOTUMMETAP2AKT2AKT1
SCHEMBL28263094 0.73 TP53 (0.43) KDM4EMKNK1MKNK2
SCHEMBL1969404 0.66 IDO1 (0.41) NOTUM
SCHEMBL17625979 0.62 NOTUM (0.35) NOTUMPOLBCYP1A2GCGRLMNA
SCHEMBL1654513 0.62 NOTUM (0.39) NOTUMPOLBPTPN11CYP1A2LMNA
SCHEMBL3952742 0.61 CYP1A2 (0.73) NOTUMPOLBPTPN11CYP1A2LMNA
SCHEMBL11165087 0.61 CYP1A2 (0.73) NOTUMPOLBPTPN11CYP1A2LMNA
SCHEMBL28215 0.61 CYP1A2 (0.73) NOTUMPOLBPTPN11CYP1A2LMNA
SCHEMBL15955684 0.61 BACE1 (0.41) NOTUMCYP1A2KDM4EMKNK1MKNK2
SCHEMBL8171245 0.61 CYP19A1 (0.38) NOTUMCYP1A2METAP2GCGRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
EP-2023724-B8 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-06-06 EP claimed
EP-2453750-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES Bayer CropScience AG (DE) 2012-05-23 EP claimed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 WO claimed
EP-2154968-A2 FUNGICIDAL SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2010-02-24 EP claimed
EP-2023724-A2 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2009-02-18 EP claimed
WO-2009012907-A1 SYNERGISTIC FUNGICIDAL ACTIVE GENISTEIN COMBINATIONS BAYER CROPSCIENCE AG (DE) 2009-01-29 WO claimed
WO-2008148476-A2 FUNGICIDAL SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2008-12-11 WO claimed
EP-1916894-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE Bayer CropScience Aktiengesellschaft (DE) 2008-05-07 EP claimed
EP-1895846-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-03-12 EP claimed
WO-2007134778-A2 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-11-29 WO claimed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
EP-1802197-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS Bayer CropScience Aktiengesellschaft (DE) 2007-07-04 EP claimed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO claimed
WO-2006131246-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
WO-2006040016-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-04-20 WO claimed
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
WO-2004080181-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed