SCHEMBL10658129

SCHEMBL10658129

COc1ccc(-n2c(=O)c3c(c4nccnc42)OCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
CYP3A4 P08684 6/20 0.39
CYP1A2 P05177 6/20 0.39
LMNA P02545 6/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
HSD17B10 Q99714 6/20 0.38
USP2 O75604 6/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 1/20 0.38
CASP1 P29466 6/20 0.38
CASP7 P55210 6/20 0.38

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
SCHEMBL10378398 0.93 CYP1A2 (0.41) ALDH1A1CYP3A4CYP1A2LMNAKMT2A
SCHEMBL10653938 0.88 EPHB4 (0.52) ALDH1A1CYP1A2LMNAPOLBHSD17B10
SCHEMBL10654481 0.87 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP1A2LMNAKMT2A
SCHEMBL10659366 0.85 GABRA1 (0.36) ALDH1A1CYP3A4CYP1A2KMT2AMEN1
SCHEMBL10655567 0.85 GABRA1 (0.36) ALDH1A1CYP3A4CYP1A2KMT2AMEN1
SCHEMBL10661938 0.85 PDE4A (0.38) ALDH1A1CYP3A4CYP1A2KMT2AMEN1
SCHEMBL9629703 0.85 PKM (0.45) ALDH1A1CYP3A4CYP1A2LMNAKMT2A
SCHEMBL10377181 0.81 EPHB4 (0.48) CYP1A2LMNAPOLBSMN1; SMN2MAPT
SCHEMBL10378419 0.80 ALDH1A1 (0.36) ALDH1A1CYP1A2LMNAKMT2AMEN1
SCHEMBL10654535 0.79 PKM (0.42) ALDH1A1CYP3A4CYP1A2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed