SCHEMBL11568396

SCHEMBL11568396

Cc1ccc(N=C(c2ccccc2)c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
ESR2 Q92731 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
CDK5 Q00535 1/20 0.45
PAX8 Q06710 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL11568392 1.00 AGTR1 (0.49) AGTR1ESR2KMT2AMEN1HPGD
SCHEMBL3068936 0.89 AGTR1 (0.55) AGTR1ESR2KMT2AMEN1HPGD
SCHEMBL6280202 0.89 AGTR1 (0.55) AGTR1ESR2KMT2AMEN1HPGD
SCHEMBL10910459 0.81 ESR2 (0.68) ESR2KMT2AMEN1ALOX12RAB9A
SCHEMBL4401106 0.79 ESR2 (0.71) ESR2KMT2AMEN1RAB9ANPC1
SCHEMBL4402311 0.79 ESR2 (0.71) ESR2KMT2AMEN1RAB9ANPC1
SCHEMBL19844907 0.78 ESR2 (0.53) AGTR1ESR2KMT2AMEN1HPGD
SCHEMBL12336909 0.78 ESR2 (0.69) ESR2KMT2AMEN1RAB9ANPC1
SCHEMBL4862366 0.78 NPC1 (0.57) KMT2ARAB9ANPC1PKMCDK5
SCHEMBL20198257 0.76 ESR2 (0.66) ESR2KMT2AMEN1RAB9ANPC1

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-4148983-A TERTIARY CATALYST SYSTEM INCLUDING AN ORGANOMETALLIC COMPOUND, A CHROMIUM COMPOUND AND AN ORGANIC PHOSPHITE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-04-10 US disclosed