SCHEMBL9470596

SCHEMBL9470596

COc1ccccc1SC1C(=O)N(c2ccccc2)c2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 7/20 0.37
HSD11B1 P28845 2/20 0.37
LMNA P02545 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 1/20 0.35
SLC2A2 P11168 1/20 0.35
SLC2A3 P11169 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9469636 0.85 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9470196 0.82 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9470115 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL9470368 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9470503 0.75 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9470466 0.73 KMT2A (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9470178 0.72 MAOA (0.41) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9469702 0.71 POLB (0.48) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9469283 0.71 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL4690229 0.71 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US claimed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP claimed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP disclosed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO disclosed