SCHEMBL27486176

SCHEMBL27486176

NCc1ccc(C(=O)c2ccccc2)cc1CC(=O)NN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PBRM1 Q86U86 1/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL7490444 0.83 L3MBTL1 (0.43) ELANEL3MBTL1ATMTDP1PBRM1
SCHEMBL27485833 0.82 ATM (0.46) ELANEL3MBTL1ATMTDP1PBRM1
Hydrochloric Acid SCHEMBL10735562 0.74 ATM (0.50) ELANEL3MBTL1ATMTDP1PBRM1
SCHEMBL28767763 0.72 NPC1 (0.54) L3MBTL1ATMTDP1RAB9A
SCHEMBL4797796 0.70 RAB9A (0.62) L3MBTL1ATMTDP1ALDH1A1HPGD
SCHEMBL11790828 0.70 ALDH1A1 (0.52) L3MBTL1PBRM1ALDH1A1HPGDRAB9A
SCHEMBL26998263 0.70 ATM (0.57) ELANEL3MBTL1ATMTDP1PBRM1
SCHEMBL5074190 0.70 L3MBTL1 (0.57) ELANEL3MBTL1ATMTDP1PBRM1
SCHEMBL27486177 0.70 CFD (0.42) ALDH1A1
SCHEMBL7104771 0.68 ATM (0.55) ELANEL3MBTL1ATMTDP1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1202095-C Heteroaromatic ring compounds SUMITOMO PHARMA (JP) 2005-05-18 CN disclosed
CN-1361770-A Heteroaromatic ring compounds SUMITOMO PHARMA (JP) 2002-07-31 CN disclosed