SCHEMBL11210370

SCHEMBL11210370

O=C=Nc1ccccc1Oc1nncs1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1356140 0.77 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL29369823 0.77 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL11210380 0.73 CYP3A4 (0.37) CYP3A4TDP1
SCHEMBL28377763 0.72 CYP3A4 (0.45) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL673041 0.71 KMT2A (0.44) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL3991493 0.69 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL10801387 0.69 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL1415413 0.68 ALDH1A1 (0.46) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL7128955 0.68 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL11603236 0.68 HPGD (0.45) CYP3A4ALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022750-B1 1,3,4-THIADIAZOLYLOXY-PHENYL UREAS, THEIR PREPARATION AND HERBICIDES CONTAINING THEM CIBA-GEIGY AG (CH) 1983-05-18 EP claimed
EP-0022750-A1 1,3,4-Thiadiazolyloxy-phenyl ureas, their preparation and herbicides containing them CIBA-GEIGY AG (CH) 1981-01-21 EP claimed
EP-0022750-B1 1,3,4-THIADIAZOLYLOXY-PHENYL UREAS, THEIR PREPARATION AND HERBICIDES CONTAINING THEM CIBA-GEIGY AG (CH) 1983-05-18 EP disclosed
US-4364769-A PREEMERGENCE, POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1982-12-21 US disclosed
EP-0022750-A1 1,3,4-Thiadiazolyloxy-phenyl ureas, their preparation and herbicides containing them CIBA-GEIGY AG (CH) 1981-01-21 EP disclosed