SCHEMBL9294644

SCHEMBL9294644

CS(=O)(=O)c1cc(-n2cncn2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 2/20 0.32
MAOA P21397 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL3624554 0.78 PIM1 (0.43) PIM1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL14970142 0.74 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL9294083 0.73 CYP1A2 (0.49) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9627581 0.72 LMNA (0.33) SMN1; SMN2
SCHEMBL13140303 0.71 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL3626874 0.70 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL3627722 0.70 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL558050 0.70 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL558692 0.70 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL10220884 0.70 MAPT (0.38) PIM1KDM4EALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430471-B1 Fungicides ZENECA LTD (GB) 1994-09-07 EP disclosed
US-5314892-A Fungicidal pyrimidinyloxyphenyl-3-methoxy propenoates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5179098-A Substituted, methoxypropenoate pyrimidines, plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
EP-0430471-A1 Fungicides ZENECA LIMITED (GB) 1991-06-05 EP disclosed