SCHEMBL11285169

SCHEMBL11285169

N#Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n[nH]c1=O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
IDO1 P14902 5/20 0.53
ERBB2 P04626 1/20 0.46
ALPL P05186 1/20 0.44
ADORA1 P30542 3/20 0.42
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TYMP P19971 1/20 0.40
ADORA2B P29275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL11169710 0.85 MEN1 (0.73) KMT2AMEN1IDO1ERBB2ALPL
SCHEMBL10981781 0.84 MEN1 (1.00) KMT2AMEN1IDO1ERBB2ADORA1
SCHEMBL6256408 0.81 MEN1 (0.68) KMT2AMEN1ALPLADORA1ADORA2A
SCHEMBL29872294 0.72 KMT2A (0.46) KMT2AMEN1IDO1KDM4EGLA
SCHEMBL16105237 0.72 MAPK14 (0.53) ERBB2MAPK11MAPK14
SCHEMBL11168349 0.72 ALPL (0.46) KMT2AMEN1ALPLALDH1A1GAA
SCHEMBL14501825 0.71 KMT2A (0.53) KMT2AMEN1IDO1ERBB2ADORA1
SCHEMBL7884963 0.69 ATM (0.73) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7864515 0.69 MAPK13 (0.42) KMT2AMEN1ALPLALDH1A1MAPT
SCHEMBL4834657 0.68 ATM (0.51) ALPLKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046069-A1 Herbicidal and plant growth regulant diphenylpyridazinones DIAMOND SHAMROCK CORPORATION (US) 1982-02-17 EP disclosed