SCHEMBL30180806

SCHEMBL30180806

Clc1ccc2cc3c(cc2c1)[nH]c1ccccc13

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.57
▸ CYP2A6 P11509 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GPR3 P46089 1/20 0.48
▸ GABRP O00591 2/20 0.47
▸ GABRD O14764 2/20 0.47
▸ GABRA1 P14867 2/20 0.47
▸ GABRB1 P18505 2/20 0.47
▸ GABRG2 P18507 2/20 0.47
▸ GABRB3 P28472 2/20 0.47
▸ GABRA5 P31644 2/20 0.47
▸ GABRA3 P34903 2/20 0.47
▸ GABRA2 P47869 2/20 0.47
▸ GABRB2 P47870 2/20 0.47
▸ GABRA4 P48169 2/20 0.47
▸ GABRE P78334 2/20 0.47
▸ GABRA6 Q16445 2/20 0.47
▸ GABRG1 Q8N1C3 2/20 0.47
▸ GABRG3 Q99928 2/20 0.47

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
SCHEMBL21448386 1.00 AHR (0.57) AHRCYP2A6ALDH1A1HSD17B10GPR3
SCHEMBL21448183 1.00 AHR (0.57) AHRCYP2A6ALDH1A1HSD17B10GPR3
SCHEMBL30180942 1.00 AHR (0.57) AHRCYP2A6ALDH1A1HSD17B10GPR3
SCHEMBL21717474 0.87 CHUK (0.50) AHRCYP2A6ALDH1A1HSD17B10KDM4E
SCHEMBL21451721 0.87 PARP1 (0.50) AHRCYP2A6ALDH1A1KDM4EKMT2A
SCHEMBL15073657 0.85 AHR (0.77) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL15055126 0.85 AHR (0.77) AHRALDH1A1HSD17B10GPR3TOP2A
SCHEMBL21448261 0.84 ALDH1A1 (0.50) AHRCYP2A6ALDH1A1HSD17B10GABRP
SCHEMBL21448352 0.84 MEN1 (0.51) AHRCYP2A6ALDH1A1HSD17B10KDM4E
SCHEMBL30180727 0.84 MEN1 (0.51) AHRCYP2A6ALDH1A1HSD17B10KDM4E

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
CN-110291066-B Compound and organic electroluminescent element comprising same 株式会社LG化学(KR) 2023-01-13 — — CN disclosed
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