SCHEMBL1671880

SCHEMBL1671880

CC(C)(C)C(=O)NCc1ccccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
RIPK1 Q13546 3/20 0.47
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HPGD P15428 5/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RCE1 Q9Y256 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK8 P45983 1/20 0.39
F2RL1 P55085 1/20 0.39

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
SCHEMBL14782975 0.85 HTT (0.53) ALDH1A1RIPK1KMT2AHPGDPOLB
SCHEMBL28057342 0.84 RIPK1 (0.47) KDM4EALDH1A1RIPK1KMT2ACA1
SCHEMBL12003276 0.83 RIPK1 (0.50) KDM4EALDH1A1RIPK1KMT2AHPGD
SCHEMBL12003275 0.83 RIPK1 (0.44) KDM4EALDH1A1RIPK1KMT2AHPGD
SCHEMBL12003277 0.82 RIPK1 (0.49) KDM4EALDH1A1RIPK1KMT2AHPGD
SCHEMBL28984805 0.81 SETDB1 (0.49) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL19318518 0.80 HPGD (0.53) KDM4EALDH1A1RIPK1KMT2ACA1
SCHEMBL4422142 0.79 NPC1 (0.46) KDM4EALDH1A1KMT2AHPGDMAPT
SCHEMBL18219781 0.78 TSHR (0.52) KDM4ERIPK1CA1CA2CA7
SCHEMBL15471188 0.78 ALDH1A1 (0.60) KDM4EALDH1A1RIPK1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013118071-A1 BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-15 WO claimed
WO-2025048759-A1 BENZIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS ICOSYN THERAPEUTICS SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2025-03-06 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013038308-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-03-21 WO disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed