SCHEMBL9555341

SCHEMBL9555341

O=C(O)Cc1nc(-c2ccc(Cl)cc2)sc1Br

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.59
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.45

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
SCHEMBL9555377 0.88 KDM4E (0.57) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555418 0.86 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555733 0.85 PTGDR2 (0.59) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555373 0.85 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555350 0.85 KMT2A (0.50) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555535 0.84 PTGDR2 (0.57) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555332 0.83 KDM4E (0.47) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3065774 0.82 PTGDR2 (0.56) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2580648 0.82 KDM4E (0.62) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9555280 0.82 KMT2A (0.63) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182402-A 2-Phenylthiazolecarboxylic Acids and Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-26 US disclosed
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 EP disclosed