SCHEMBL11614979

SCHEMBL11614979

CN(C)c1ccc(-c2c[nH]c(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.50
AURKA O14965 4/20 0.41
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
NOX1 Q9Y5S8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GUSB P08236 1/20 0.38
ATP4A P20648 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
SCHEMBL17707841 0.87 ALDH1A1 (0.48) PDGFRBKITKDRMAPTHPGD
SCHEMBL7142021 0.86 NOX1 (0.54) APPAURKATCF4CTNNB1NOX1
SCHEMBL7143264 0.80 MEN1 (0.53) MAPTHPGDHSD17B10ALDH1A1POLB
SCHEMBL7773262 0.79 SMPD3 (0.45) APPAURKANOX1PDGFRBKIT
SCHEMBL23819957 0.79 APP (0.46) APPPDGFRBKITKDRMAPT
SCHEMBL26464680 0.79 MEN1 (0.50) PDGFRBKITKDRMAPTHPGD
SCHEMBL26464181 0.79 MAPT (0.50) PTGS2PDGFRBKITKDRMAPT
SCHEMBL7101231 0.79 APP (0.44) APPPTGS2ALDH1A1TSHRMAPK1
SCHEMBL7797121 0.78 PDGFRB (0.51) APPNOX1PDGFRBKITKDR
SCHEMBL30203627 0.76 AURKA (0.43) AURKATCF4CTNNB1NOX1MAPT

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-4089747-A OXIDATION OF DYE-PROVIDING MATERIALS, A SULFONYL HYDRAZONE AND A COUPLER OR A TRIARYLIMIDAZOLE EASTMAN KODAK COMPANY (US) 1978-05-16 US claimed