SCHEMBL30907397

SCHEMBL30907397

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3cc(Cl)ncc3cc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 1/20 0.38
QPCT Q16769 2/20 0.38
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL31527564 0.78 LMNA (0.43) NOS1LMNAMAPTQPCTPIK3CA
SCHEMBL30907657 0.74 SMN1; SMN2 (0.35) LMNAMAPTPIK3CAALDH1A1MEN1
SCHEMBL30589324 0.74 QPCT (0.40) LMNAMAPTQPCTPIK3CAALDH1A1
SCHEMBL30316855 0.74 QPCT (0.45) NOS1LMNAMAPTQPCTALDH1A1
SCHEMBL21061503 0.74 QPCT (0.40) LMNAMAPTQPCTPIK3CAALDH1A1
SCHEMBL15661441 0.74 LMNA (0.44) NOS1LMNAMAPTQPCTPIK3CA
SCHEMBL24457836 0.74 ALDH1A1 (0.41) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL27089082 0.73 APLNR (0.43) NOS1LMNAMAPTQPCTALDH1A1
SCHEMBL30000304 0.73 APLNR (0.43) NOS1LMNAMAPTQPCTALDH1A1
SCHEMBL26005022 0.72 LMNA (0.45) NOS1LMNAMAPTQPCTPIK3CA

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
WO-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed