SCHEMBL11437705

SCHEMBL11437705

CC(=O)Nc1ccc(N)cc1.Nc1ccc2nc[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.62
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
RAD52 P43351 1/20 0.60
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
QPCT Q16769 6/20 0.50
NAMPT P43490 1/20 0.47
EPHX1 P07099 1/20 0.46
HDAC3 O15379 1/20 0.46
P2RY14 Q15391 1/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL11580425 0.86 QPCT (0.63) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL115966 0.79 PRKCI (1.00) PRKCIMAPTKDM4ERAD52PKM
Fluoride SCHEMBL31379744 0.77 PRKCI (0.96) PRKCIMAPTKDM4ERAD52PKM
Hydrochloric Acid SCHEMBL2227020 0.77 KDM4E (1.00) PRKCIMAPTKDM4ERAD52PKM
Hydrochloric Acid SCHEMBL28142031 0.77 KDM4E (1.00) PRKCIMAPTKDM4ERAD52PKM
SCHEMBL839649 0.77 KDM4E (0.54) MAPTKDM4ERAB9AKMT2ANPC1
Benzene SCHEMBL28669834 0.76 PRKCI (0.92) PRKCIMAPTKDM4ERAD52PKM
Benzene SCHEMBL28770871 0.76 PRKCI (0.92) PRKCIMAPTKDM4ERAD52PKM
Hydrochloric Acid SCHEMBL2397058 0.76 KDM4E (0.53) MAPTKDM4ERAB9AKMT2ANPC1
SCHEMBL92049 0.75 PKM (0.75) MAPTKDM4EPKMCYP2C19RAB9A

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
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed