SCHEMBL11615995

SCHEMBL11615995

Clc1c[c]c(Cl)c(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.33
SRC P12931 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
CNR1 P21554 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9784010 0.80 NOTUM (0.37) TSHRCHEK1WEE1
SCHEMBL15635850 0.72 CYP2A6 (0.33) FGFR1SRCCYP1A2CYP2A6LMNA
SCHEMBL3410408 0.72 TP53 (0.42) AHRTSHR
SCHEMBL4456396 0.71 ALDH1A1 (0.50) FGFR1SRCGABRPGABRDGABRA1
SCHEMBL4445036 0.71 CNR2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11615997 0.71 FGFR1 (0.33) FGFR1SRCCYP1A2CYP2A6LMNA
SCHEMBL1274816 0.71 AHR (0.50) LMNAAHRTSHRHSP90AA1
SCHEMBL4284888 0.69 HSD17B1 (0.45) CNR1CYP1A2LMNATSHR
SCHEMBL4608809 0.69 METAP2 (0.34)
SCHEMBL17514634 0.69

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
US-4113879-A TRIPHENYLMETHANEDICARBOXYLIC ACIDS, ANTI-INFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-12 US disclosed