SCHEMBL24901299

SCHEMBL24901299

CNc1ccc(C#Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.45
FAAH O00519 5/20 0.39
SERPINE1 P05121 2/20 0.38
MAPT P10636 1/20 0.38
HNF4A P41235 1/20 0.37
CSF1R P07333 1/20 0.36
ACACB O00763 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PIK3CA P42336 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
SCHEMBL24901420 0.88 MAPT (0.43) SERPINE1MAPT
SCHEMBL24893375 0.86 KDM4E (0.44) KDM4EALDH1A1FAAHSERPINE1MAPT
SCHEMBL24901281 0.86 ACACB (0.48) KDM4EALDH1A1MAPTACACBPIK3CA
SCHEMBL24901360 0.85 MAPT (0.44) KDM4EALDH1A1SERPINE1MAPTHNF4A
SCHEMBL24901336 0.76 TERT (0.41) KDM4EALDH1A1MAPTACACBPIK3CA
SCHEMBL24901428 0.76 PRKDC (0.46) KDM4EALDH1A1MAPTACACBPIK3CA
SCHEMBL24893399 0.74 NPC1 (0.43) KDM4EALDH1A1SERPINE1
SCHEMBL24893490 0.73 MMP13 (0.49)
SCHEMBL24893376 0.73 HTT (0.55) KDM4EALDH1A1SERPINE1MAPTKEAP1
SCHEMBL24893418 0.72 RAB9A (0.47) ALDH1A1SERPINE1MAPTACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed