SCHEMBL9524743

SCHEMBL9524743

Clc1ccc(C(c2ncc[nH]2)c2ccc(Cl)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2RL1 P55085 5/20 0.33
TAAR1 Q96RJ0 1/20 0.33
FPR2 P25090 1/20 0.33
WRN Q14191 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA2B P18089 1/20 0.32
NISCH Q9Y2I1 2/20 0.32
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL9521262 0.79 FPR2 (0.34) F2RL1FPR2WRNADRA2AADRA2C
SCHEMBL5353787 0.72 ALDH1A1 (0.43) SMN1; SMN2F2RL1FPR2ADRA2AADRA2C
SCHEMBL9522500 0.70 AHR (0.41) TP53MAPTF2RL1ADRA2AADRA2C
SCHEMBL2051189 0.69 NISCH (0.42) MAPTTAAR1ADRA2AADRA2CNISCH
SCHEMBL1348889 0.64 SLC6A2 (0.50) F2RL1TAAR1ADRA2AADRA2CADRA2B
SCHEMBL947712 0.64
SCHEMBL31629220 0.62 F2RL1 (0.42) F2RL1NISCH
SCHEMBL8078116 0.62
SCHEMBL3170537 0.62 NISCH (0.53) SMN1; SMN2F2RL1FPR2ADRA2AADRA2C
SCHEMBL10642682 0.62 F2RL1 (0.42) F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573529-A1 TRIHETEROARYLMETHANES, METHOD FOR PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE TO MANUFACTURE DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-15 EP disclosed
WO-1992015578-A1 TRIHETEROARYLMETHANES, METHOD FOR PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE TO MANUFACTURE DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-17 WO disclosed