SCHEMBL1645573

SCHEMBL1645573

Cc1ncccc1CC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
GABRA5 P31644 1/20 0.38
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
FFAR1 O14842 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.33
HTR5A P47898 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL29956908 0.81 P2RX7 (0.39) P2RX7GABRA5CYP2C9NAMPTFFAR1
SCHEMBL27571265 0.80 ALDH1A1 (0.42) P2RX7KDM4EMAPTKMT2AMEN1
SCHEMBL11744380 0.79 ALDH1A1 (0.38) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL487765 0.79
SCHEMBL31421766 0.79
Bromide SCHEMBL28266905 0.78 ALDH1A1 (0.41) P2RX7KDM4EMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL29057695 0.78 ALDH1A1 (0.41) P2RX7KDM4EMAPTKMT2AMEN1
SCHEMBL19443425 0.78 P2RX7 (0.37) P2RX7GABRA5CYP2C9NAMPTFFAR1
SCHEMBL4000359 0.77 P2RX7 (0.44) P2RX7GABRA5CYP2C9NAMPTFFAR1
Bromide SCHEMBL28265555 0.77 P2RX7 (0.44) P2RX7GABRA5CYP2C9NAMPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405041-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF Atrogi AB (SE) 2024-07-31 EP disclosed
EP-4358963-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-05-01 EP disclosed
WO-2023046882-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2023-03-30 WO disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed
EP-2814830-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP disclosed
EP-2736329-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013120980-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
WO-2013019621-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed