SCHEMBL7798902

SCHEMBL7798902

Nc1c(C=C(c2ccccc2)c2ccccc2)ccc(C(=O)c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK14 Q16539 1/20 0.42
AKR1C3 P42330 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ADORA1 P30542 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL9236867 0.87 MAPT (0.51) MAPTGAAALDH1A1MEN1USP2
SCHEMBL8008684 0.78 AKR1C3 (0.53) MAPTGAAALDH1A1MEN1USP2
SCHEMBL4551329 0.77 PBRM1 (0.46) MAPTGAAALDH1A1MEN1USP2
SCHEMBL3289240 0.75 MAPT (0.62) MAPTGAAALDH1A1MEN1USP2
SCHEMBL29670526 0.75 MAPT (0.62) MAPTGAAALDH1A1MEN1USP2
Hydrochloric Acid SCHEMBL9847484 0.74 MAPT (0.60) MAPTGAAALDH1A1MEN1USP2
SCHEMBL5565681 0.73 MAPT (0.53) MAPTGAAALDH1A1MEN1USP2
SCHEMBL10931534 0.73 MAPT (0.53) MAPTGAAALDH1A1MEN1USP2
SCHEMBL30549383 0.73 MAPT (0.53) MAPTGAAALDH1A1MEN1USP2
SCHEMBL30549381 0.73 MAPT (0.54) MAPTGAAALDH1A1MEN1USP2

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
EP-1113779-A1 METHOD FOR DYEING FIBRES CONTAINING KERATIN USING STABLE DIAZONIUM SALTS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-07-11 EP claimed
WO-2000015184-A1 METHOD FOR DYEING FIBRES CONTAINING KERATIN USING STABLE DIAZONIUM SALTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-03-23 WO claimed