SCHEMBL10659741

SCHEMBL10659741

N#Cc1ccc2ccc(N)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.39
CDC7 O00311 1/20 0.39
NQO1 P15559 1/20 0.37
BACE1 P56817 3/20 0.34
NCF1 P14598 2/20 0.34
NOS2 P35228 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 2/20 0.32
EGLN2 Q96KS0 2/20 0.32
SRC P12931 1/20 0.32
NOS1 P29475 3/20 0.31
NOS3 P29474 2/20 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
SCHEMBL30705448 0.87 SOS2 (0.47) SOS2CDC7NQO1EGLN2SRC
SCHEMBL1765925 0.79 BACE1 (0.48) BACE1NCF1NOS2KDM4EALDH1A1
SCHEMBL30779745 0.71
SCHEMBL913399 0.71
SCHEMBL1994814 0.69 ALDH1A1 (0.47) SOS2NQO1KDM4EALDH1A1KMT2A
SCHEMBL1777965 0.69
SCHEMBL6412343 0.69 PIK3CD (0.40) BACE1NCF1NOS2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27619885 0.68 ALDH1A1 (0.46) SOS2NQO1KDM4EALDH1A1KMT2A
SCHEMBL5346454 0.67 SOS2 (0.63) SOS2CDC7NQO1SRC
SCHEMBL3586094 0.67 NCF1 (0.42) BACE1NCF1NOS2KDM4EALDH1A1

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-4753941-A HYPNOTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1988-06-28 US disclosed