SCHEMBL20291012

SCHEMBL20291012

c1ccc2cc(-c3ccc4c(c3)[nH]c3ccccc34)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ HTR5A P47898 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ GPR3 P46089 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KIF11 P52732 10/20 0.52
▸ PDE9A O76083 1/20 0.49
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44

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
SCHEMBL16310851 0.91 AHR (0.63) AHRHTR2BHTR5AALDH1A1GPR3
SCHEMBL20306691 0.89 CDK4 (0.52) AHRHTR2BHTR5AALDH1A1GPR3
SCHEMBL18028382 0.89 AHR (0.55) AHRHTR2BHTR5AALDH1A1GPR3
SCHEMBL19442036 0.88 AHR (0.70) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL29742954 0.88 AHR (0.70) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL5999272 0.88 AHR (0.70) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL31450477 0.87 HTR2B (0.57) AHRHTR2BHTR5AALDH1A1GPR3
SCHEMBL22661393 0.87 AHR (0.59) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL16656491 0.87 AHR (0.59) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL22522622 0.86 AHR (0.52) AHRHTR2BHTR5AALDH1A1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018110958-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-06-21 — — WO disclosed
CN-104370801-B Carbazole compound and application thereof 东曹株式会社 2017-11-03 — — CN disclosed
CN-104326968-B Carbazole compound and use thereof 东曹株式会社 2017-04-12 — — CN disclosed
CN-102666487-B Carbazole compound and use thereof TOSOH CORP 2014-11-05 — — CN disclosed
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