SCHEMBL9770933

SCHEMBL9770933

COC(=O)CSc1cc(N=C=S)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
GLA P06280 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
PRNP P04156 1/20 0.43
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.37

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
SCHEMBL8485382 0.79 ALDH1A1 (0.41) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL10429606 0.74 L3MBTL1 (0.47) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL10915365 0.73 MEN1 (0.46) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL1483825 0.71 ABL1 (0.43) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL9824583 0.70 KMT2A (0.38) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL9824588 0.70 KMT2A (0.38) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL8484111 0.69 ALDH1A1 (0.42) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL9430928 0.68 TSHR (0.42) MAPTCYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL26968324 0.68 MAPT (0.45) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL9430923 0.68 RAD51 (0.38) MAPTCYP3A4KDM4EALDH1A1HSD17B10

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
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed