SCHEMBL19268068

SCHEMBL19268068

CNc1c(Cc2ccc(-c3cscn3)cc2)cc(C(=O)O)nc1C=N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ PDE11A Q9HCR9 1/20 0.44
▸ ECE1 P42892 1/20 0.37
▸ IGFBP5 P24593 6/20 0.36
▸ IGFBP3 P17936 1/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT1 Q99873 2/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL20030908 0.84 CHRM1 (0.42) CHRM1PDE2APDE11AECE1IGFBP5
SCHEMBL19268090 0.81 CHRM1 (0.48) CHRM1PDE2APDE11A
SCHEMBL20030498 0.73 CHRM1 (0.49) CHRM1PDE2APDE11A
SCHEMBL20030906 0.72 CHRM1 (0.42) CHRM1PDE2APDE11AECE1IGFBP5
SCHEMBL19260906 0.72 CHRM1 (0.42) CHRM1PDE2APDE11AECE1IGFBP5
SCHEMBL28500321 0.69 CHRM1 (0.40) CHRM1PDE2APDE11AECE1KDM4A
SCHEMBL20031032 0.69 CHRM1 (0.53) CHRM1PDE2APDE11A
SCHEMBL19925995 0.66 P2RX3 (0.38) CHRM1PDE2APDE11A
SCHEMBL17440047 0.65 CHRM1 (0.56) CHRM1PDE2APDE11A
SCHEMBL22212646 0.64 CHRM1 (0.37) CHRM1PDE2APDE11AECE1

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-2017143041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2017-08-24 — — WO disclosed
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