SCHEMBL9459229

SCHEMBL9459229

COC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
PTGS2 P35354 2/20 0.57
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL10584488 0.85 SMN1; SMN2 (0.80) POLBL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL5783615 0.81 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2KMT2AMEN1PTGS2
SCHEMBL3629336 0.80 CNR1 (0.66) KMT2A
SCHEMBL9489312 0.80 MALT1 (0.52) POLBL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL3367740 0.78 CNR2 (0.63)
SCHEMBL9881209 0.77 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL10584492 0.76 SMN1; SMN2 (0.50) POLBL3MBTL1SMN1; SMN2PTGS2ALDH1A1
SCHEMBL5781593 0.76 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL29204510 0.76 PTGS2 (0.46) L3MBTL1SMN1; SMN2KMT2AMEN1PTGS2
SCHEMBL9643919 0.74 MALT1 (0.73) L3MBTL1SMN1; SMN2KMT2AMEN1

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-5217524-A 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid derivatives for the protection of cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5077413-A Preferential herbicides CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed