SCHEMBL9446997

SCHEMBL9446997

CCCCS(=O)(=O)Nc1ccc(Oc2cccc3c(C)ccnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.44
MRGPRX1 Q96LB2 3/20 0.44
KIT P10721 3/20 0.43
ALDH1A1 P00352 3/20 0.42
BRD4 O60885 2/20 0.41
KDR P35968 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9446962 0.84 MRGPRX1 (0.49) HPGDMRGPRX1ALDH1A1BRD4KDR
SCHEMBL9447116 0.84 AR (0.52) ARHPGDLMNAMRGPRX1ALDH1A1
SCHEMBL8307237 0.79 AR (0.56) ARHPGDLMNAMRGPRX1KIT
SCHEMBL9446952 0.77 PGR (0.54) ARHPGDLMNAALDH1A1MAPT
SCHEMBL7220505 0.77 AR (0.50) ARHPGDLMNAMRGPRX1ALDH1A1
SCHEMBL9446988 0.76 AR (0.48) ARHPGDLMNAMRGPRX1KIT
SCHEMBL9446951 0.74 MAPT (0.46) ARHPGDLMNAMRGPRX1KDM4E
SCHEMBL7219583 0.74 AR (0.51) ARHPGDLMNAMRGPRX1ALDH1A1
SCHEMBL16133354 0.74 PSMD14 (0.54) HPGDLMNAALDH1A1KDM4EMAPT
SCHEMBL9446965 0.74 TP53 (0.46) LMNAALDH1A1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed