SCHEMBL20051968

SCHEMBL20051968

C=Cc1[nH]c2ccccc2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.55
DAO P14920 1/20 0.46
DDO Q99489 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
GPR3 P46089 1/20 0.44
KIF11 P52732 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10513069 0.82 AHR (0.48) AHRDAODDOALDH1A1HSD17B10
SCHEMBL10328758 0.82 AHR (0.48) AHRDAODDOALDH1A1HSD17B10
SCHEMBL29956558 0.80 AHR (0.55) AHRDAODDOALDH1A1HSD17B10
SCHEMBL1254486 0.80 AHR (0.55) AHRDAODDOALDH1A1HSD17B10
SCHEMBL12901627 0.78 AHR (0.53) AHRDAODDOALDH1A1HSD17B10
SCHEMBL20273179 0.78 ALDH1A1 (0.46) AHRALDH1A1HSD17B10GPR3CYP1A2
SCHEMBL24492924 0.76 ALDH1A1 (0.44) AHRALDH1A1HSD17B10GPR3CYP1A2
SCHEMBL29222822 0.76 ALDH1A1 (0.44) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL14950314 0.76 HTT (0.47) ALDH1A1HSD17B10GPR3KIF11RAB9A
SCHEMBL7369851 0.76 AHR (0.50) AHRDAODDOALDH1A1HSD17B10

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-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
WO-2022103149-A1 NOVEL CARBAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 큐라클 2022-05-19 WO disclosed
US-20190056662-A1 COLORED RESIN COMPOSITION, COLOR FILTER SUBSTRATE AND LIQUID CRYSTAL DISPLAY DEVICE TORAY INDUSTRIES, INC. (JP) 2019-02-21 US disclosed
US-9944629-B2 Material for organic electroluminescent element, organic electroluminescent element, illumination device, and display device Konica Minolta, Inc. (JP) 2018-04-17 US disclosed