SCHEMBL9820531

SCHEMBL9820531

Cc1ccccc1-c1nnc(SC(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
STAT6 P42226 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL9820493 0.84 KDM4E (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11783664 0.76 ALDH1A1 (0.43) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL10495113 0.76 BCHE (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10495117 0.74 NPC1 (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21091032 0.72 ALDH1A1 (0.51) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL9533340 0.72 KDM4E (0.61) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL10495079 0.70 KDM4E (0.51) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL11565050 0.69 ALDH1A1 (0.49) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL31536902 0.69 ALDH1A1 (0.65) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL11609747 0.69 ALDH1A1 (0.54) ALDH1A1RAB9ALMNANPC1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217747-B1 NEMATOCIDAL AGENTS CIBA-GEIGY AG (CH) 1991-11-21 EP claimed
US-4694014-A 1,3,4-THIADIAZOLES CIBA-GEIGY CORPORATION (US) 1987-09-15 US claimed
EP-0217747-A2 Nematocidal agents CIBA-GEIGY AG (CH) 1987-04-08 EP claimed
EP-0217747-B1 NEMATOCIDAL AGENTS CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
US-4694014-A 1,3,4-THIADIAZOLES CIBA-GEIGY CORPORATION (US) 1987-09-15 US disclosed
EP-0217747-A2 Nematocidal agents CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed