SCHEMBL11115350

SCHEMBL11115350

[N]C1Cc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
AR P10275 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
PLAU P00749 1/20 0.38
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34

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
SCHEMBL30059612 0.76 MAPT (0.53) MAPTGAAARBRD4CREBBP
SCHEMBL1736809 0.73 CREBBP (0.55) MAPTGAAARBRD4CREBBP
SCHEMBL29572486 0.73 CREBBP (0.55) MAPTGAAARBRD4CREBBP
SCHEMBL27764354 0.73 MAPT (0.50) MAPTGAAARBRD4CREBBP
SCHEMBL12837999 0.73 CREBBP (0.55) MAPTGAAARBRD4CREBBP
SCHEMBL11207070 0.73 MAPT (0.50) MAPTGAAARBRD4CREBBP
SCHEMBL31517110 0.73 MAPT (0.55) MAPTGAAARBRD4CREBBP
SCHEMBL6954505 0.73 MAPT (0.50) MAPTGAAARBRD4CREBBP
SCHEMBL2781001 0.73 MAPT (0.55) MAPTGAAARBRD4CREBBP
SCHEMBL26425605 0.73 GAA (0.50) MAPTGAAARBRD4CREBBP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460594-A CENTRAL NERVOUS SYSTEM DISORDERS BEECHAM GROUP P.L.C. (GB) 1984-07-17 US disclosed
EP-0077607-A1 N-substituted 3-aryl piperidines and derivatives thereof BEECHAM GROUP PLC (GB) 1983-04-27 EP disclosed