SCHEMBL15097026

SCHEMBL15097026

Cc1ccc(/C=C2\SC(=S)NC2=O)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 4/20 0.59
▸ PTP4A3 O75365 2/20 0.56
▸ MEN1 O00255 6/20 0.53
▸ MAPT P10636 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ POLB P06746 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ RECQL P46063 3/20 0.53
▸ PSMD14 O00487 2/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ ALPL P05186 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL14226382 0.82 NAT1 (0.69) NAT1PTP4A3MEN1MAPTKMT2A
SCHEMBL8174040 0.77 PTP4A3 (0.71) NAT1PTP4A3MEN1MAPTKMT2A
SCHEMBL8174037 0.77 PTP4A3 (0.71) NAT1PTP4A3MEN1MAPTKMT2A
SCHEMBL14529265 0.74 NAT1 (0.59) NAT1PTP4A3MEN1MAPTKMT2A
SCHEMBL7557614 0.74 NAT1 (1.00) NAT1MEN1MAPTKMT2APOLB
SCHEMBL7557609 0.74 NAT1 (1.00) NAT1MEN1MAPTKMT2APOLB
SCHEMBL8167436 0.73 PIM1 (0.75) NAT1CA2RAB9AHPGDCRHBP
SCHEMBL8167434 0.73 PIM1 (0.75) NAT1CA2RAB9AHPGDCRHBP
SCHEMBL24253263 0.73 NAT1 (0.68) NAT1MEN1MAPTKMT2APOLB
SCHEMBL10090264 0.71 PTP4A3 (0.55) NAT1PTP4A3CA2GSK3BPIM1

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-20130177844-A1 CHARGE CONTROL AGENT AND TONER USING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2013-07-11 — — US disclosed
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