SCHEMBL9540122

SCHEMBL9540122

CCCCC(O)(c1ccccc1)c1ccc(Cl)c(C(=S)NC)c1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ BCL2 P10415 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ CHRM4 P08173 6/20 0.33
▸ CHRM5 P08912 6/20 0.33
▸ CHRM3 P20309 6/20 0.33
▸ CHRM2 P08172 5/20 0.33
▸ CHRM1 P11229 5/20 0.33
▸ SCN5A Q14524 3/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KIF11 P52732 2/20 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
SCHEMBL9540116 0.71 CDC7 (0.40) BCL2SCN5ASCN9ASMN1; SMN2POLB
SCHEMBL9540145 0.71 BCL2 (0.47) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL14288446 0.69 SIGMAR1 (0.49) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL5159643 0.68 SIGMAR1 (0.62) HTR2AKCNH2BCL2SIGMAR1CHRM4
Hydrochloric Acid SCHEMBL10512222 0.67 CHRM4 (0.62) HTR2AKCNH2BCL2SIGMAR1CHRM4
SCHEMBL14288448 0.66 HTR2A (0.51) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL32668806 0.64 HTR2A (0.65) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL17073435 0.63 SIGMAR1 (0.49) HTR2AKCNH2BCL2SIGMAR1CHRM4
SCHEMBL31067545 0.63 SIGMAR1 (0.49) HTR2AKCNH2BCL2SIGMAR1CHRM4
SCHEMBL5395161 0.63 SIGMAR1 (0.64) HTR2AKCNH2BCL2SIGMAR1CHRM4

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
WO-1993004047-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-04 — — WO disclosed
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