SCHEMBL6280031

SCHEMBL6280031

COc1ccc(C2Cc3ccccc3NC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
TNKS2 Q9H2K2 1/20 0.46
NPC1 O15118 2/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
MPI P34949 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 1/20 0.43
GID4 Q8IVV7 1/20 0.43
TP53 P04637 1/20 0.42
MAOA P21397 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL2003982 0.85 DDB1 (0.59) DDB1CRBNNPC1BRD4CREBBP
SCHEMBL6252884 0.84 BRD4 (0.47) TNKS2NPC1BRD4CREBBPMAPT
SCHEMBL5668502 0.83 DDB1 (0.50) DDB1CRBNNPC1BRD4CREBBP
SCHEMBL10614847 0.82 CACNA1S (0.49) DDB1CRBNTNKS2NPC1BRD4
SCHEMBL10614841 0.82 CACNA1S (0.49) DDB1CRBNTNKS2NPC1BRD4
SCHEMBL10614845 0.82 CACNA1S (0.49) DDB1CRBNTNKS2NPC1BRD4
SCHEMBL7283037 0.81 TNKS2 (0.42) DDB1CRBNTNKS2NPC1BRD4
SCHEMBL7291445 0.81 TNKS2 (0.42) DDB1CRBNTNKS2NPC1BRD4
SCHEMBL9274473 0.81 TNKS2 (0.42) DDB1CRBNTNKS2NPC1BRD4
SCHEMBL9271783 0.81 KDM1A (0.44) DDB1CRBNTNKS2NPC1BRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed
US-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
EP-0212216-A1 Dihydroquinolinone derivatives, processes for their preparation, medicaments containing them, the use of these medicaments, and intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed