SCHEMBL10187337

SCHEMBL10187337

COc1ccc(Nc2cc(N)ncn2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
RAB9A P51151 6/20 0.71
NPC1 O15118 4/20 0.71
SCN9A Q15858 1/20 0.66
EGFR P00533 5/20 0.58
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
ERBB3 P21860 4/20 0.56
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1097149 0.98 MEN1 (0.78) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL12485614 0.83 MEN1 (0.87) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL856014 0.82 MEN1 (0.78) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL4109259 0.81 MEN1 (0.66) MEN1KMT2ARAB9ANPC1NR4A1
SCHEMBL3182550 0.81 MEN1 (0.66) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL13064955 0.81 CDK5 (0.61) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL30046349 0.81 SCN9A (0.76) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL12486513 0.80 MEN1 (0.79) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL374428 0.80 MEN1 (0.51) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL13834481 0.80 MEN1 (0.79) MEN1KMT2ARAB9ANPC1EGFR

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
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed