SCHEMBL11269588

SCHEMBL11269588

Cc1cccc(NCC#N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
CYP1A2 P05177 2/20 0.64
HTT P42858 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
ACHE P22303 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10624792 0.83 MAPT (0.69) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL969407 0.80 MAPT (0.64) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL9781825 0.80 CYP1A2 (0.64) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL4815949 0.80 MAPT (0.64) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL21001785 0.79 THRB (0.67) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL9396667 0.79 MAPT (0.75) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL8373327 0.79 MAPT (1.00) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL29612398 0.79 MAPT (0.75) MAPTCYP1A2HTTCYP3A4CYP2D6
SCHEMBL9090372 0.78 GRM5 (0.51) MAPTHTTCYP3A4HSD17B10ALDH1A1
SCHEMBL27829939 0.78 MAPT (0.56) MAPTCYP1A2HTTCYP3A4CYP2D6

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-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US disclosed