SCHEMBL9633862

SCHEMBL9633862

S=C=Nc1ccccc1Sc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ APLNR P35414 1/20 0.44
▸ EHMT2 Q96KQ7 1/20 0.41
▸ EHMT1 Q9H9B1 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADRA2A P08913 1/20 0.39

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
SCHEMBL11134251 0.76 EHMT2 (0.61) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL30548750 0.76 EHMT2 (0.61) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL6699101 0.74 L3MBTL1 (0.56) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL2894246 0.74 ALDH1A1 (0.44) ALDH1A1HPGDMAPTAPLNRALOX15
SCHEMBL301719 0.70 EHMT2 (0.70) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL28766794 0.70 ALDH1A1 (0.47) ALDH1A1HPGDAPLNRALOX15HSD17B10
SCHEMBL10423274 0.70 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL1457530 0.70 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL30940598 0.70 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL4439023 0.68 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHPGDMAPT

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-0298915-B1 PYRIDYLTHIO-, PYRIDYLSULFINYL- AND PYRIDYLSULFONYL-PHENYL-THIOUREAS, ISOTHIOUREAS AND CARBON DIIMIDES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1992-05-20 — — EP disclosed
EP-0298915-A1 Pyridylthio-, pyridylsulfinyl- and pyridylsulfonyl-phenyl-thioureas, isothioureas and carbon diimides, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1989-01-11 — — EP disclosed
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