SCHEMBL12958751

SCHEMBL12958751

C1=CC[C@H](c2cccc(-c3ccccc3)n2)C=C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ASIC3 Q9UHC3 1/20 0.41
HSD11B1 P28845 5/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PRKACA P17612 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
USP30 Q70CQ3 5/20 0.32
SMO Q99835 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL21003780 1.00 MEN1 (0.52) MEN1RAB9AKMT2AASIC3HSD11B1
SCHEMBL13168578 0.84
SCHEMBL20038987 0.81 CYP19A1 (0.39) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL20038984 0.81 CYP19A1 (0.39) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL24648540 0.81 MEN1 (0.38) MEN1RAB9AKMT2AALDH1A1POLB
SCHEMBL19881666 0.79 MEN1 (0.32) MEN1RAB9AKMT2AUSP30HTR1A
SCHEMBL24648590 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20066115 0.78 AURKA (0.44) MEN1RAB9AKMT2AASIC3ALDH1A1
SCHEMBL8261704 0.77 CCR1 (0.41) KMT2AALDH1A1POLBHPGDHSD17B10
SCHEMBL19563192 0.77 ADORA1 (0.43) MEN1RAB9AKMT2AALDH1A1MAPT

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
EP-2272828-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Nippon Steel Chemical Co., Ltd. (JP) 2011-01-12 EP disclosed