SCHEMBL9023967

SCHEMBL9023967

C(=C/c1cccc2[nH]ccc12)\c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
MEN1 O00255 3/20 0.45
USP2 O75604 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NFE2L2 Q16236 3/20 0.44
TRPA1 O75762 2/20 0.44
AHR P35869 1/20 0.44
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 3/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42

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
SCHEMBL9023975 1.00 CHEK1 (0.48) CHEK1MEN1USP2RAB9AKMT2A
SCHEMBL10735779 0.85 NFE2L2 (0.47) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL10735771 0.81 TRPA1 (0.47) RAB9ALMNAMAPTNFE2L2TRPA1
SCHEMBL9605441 0.78 AHR (0.47) AHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2461966 0.78 RAB9A (0.69) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL2461963 0.78 RAB9A (0.69) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL5435051 0.78 TUBB4A (0.38) CHEK1MEN1USP2RAB9AKMT2A
SCHEMBL5435056 0.78 TUBB4A (0.38) CHEK1MEN1USP2RAB9AKMT2A
SCHEMBL7118094 0.76 NFE2L2 (0.58) NFE2L2TRPA1
SCHEMBL11544222 0.76 NFE2L2 (0.58) NFE2L2TRPA1

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
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed