SCHEMBL14529265

SCHEMBL14529265

CCCc1ccc(C)cc1/C=C1\SC(=S)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 4/20 0.59
▸ MEN1 O00255 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ PSMD14 O00487 2/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ RECQL P46063 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

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
SCHEMBL12892067 0.86 PTP4A3 (0.65) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL8174040 0.80 PTP4A3 (0.71) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL8174037 0.80 PTP4A3 (0.71) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL14226382 0.80 NAT1 (0.69) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL15097026 0.74 NAT1 (0.59) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL7557609 0.74 NAT1 (1.00) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL7557614 0.74 NAT1 (1.00) NAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL8167434 0.73 PIM1 (0.75) NAT1HPGDNPC1RAB9AMYC
SCHEMBL8167436 0.73 PIM1 (0.75) NAT1HPGDNPC1RAB9AMYC
SCHEMBL14463945 0.73 GSK3B (0.47) NAT1MEN1MAPTKMT2AALDH1A1

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
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 — — EP disclosed
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