SCHEMBL7690504

SCHEMBL7690504

c1ccc(-c2ccccc2CN2CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALOX15 P16050 2/20 0.54
USP2 O75604 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
HTR7 P34969 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL7572914 0.83 CYP11B1 (0.45) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL18176030 0.78 HTR7 (0.46) KMT2AALOX15HTR7NPC1RAB9A
SCHEMBL1963700 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL7514025 0.78 KMT2A (0.58) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL29558 0.76 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL29875634 0.76 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL14156310 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL15331838 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL8568483 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AALOX15USP2
SCHEMBL9187390 0.73 RAB9A (0.52) ALDH1A1MEN1KMT2AALOX15USP2

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-2002072547-A1 AMINATION PROCESS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-09-19 WO disclosed