SCHEMBL20125043

SCHEMBL20125043

C=Cc1cc(C)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.54
NOS2 P35228 4/20 0.54
NOS1 P29475 3/20 0.54
CYP2A6 P11509 2/20 0.39
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 2/20 0.30
UHRF1 Q96T88 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
IKBKB O14920 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL25129348 0.81 NOS3 (0.47) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL20124974 0.79 NOS3 (0.54) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL8296665 0.79 NOS3 (0.54) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL11881227 0.78 CCR1 (0.37) NOS3NOS2NOS1CCR1CCR5
SCHEMBL22802074 0.77 PARP1 (0.36) NOS3NOS2NOS1KMT2AHTT
SCHEMBL29634226 0.77 PARP1 (0.36) NOS3NOS2NOS1KMT2AHTT
SCHEMBL19622314 0.77 PDXK (0.37) NOS3NOS2NOS1CCR1CCR5
SCHEMBL8341853 0.76 NOS3 (0.50) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL2123346 0.75 MAP4K4 (0.31) NOS3NOS2NOS1KMT2AHTT
SCHEMBL12829260 0.75 USP7 (0.35) NOS3NOS2NOS1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
WO-2019014300-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-17 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed