SCHEMBL4766444

SCHEMBL4766444

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)cc(N)c2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.43
MERTK Q12866 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APLNR P35414 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP19A1 P11511 1/20 0.38
CNR2 P34972 1/20 0.37
NPY1R P25929 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL18398215 0.84 DCTPP1 (0.42) DCTPP1MERTKNPC1RAB9AAPLNR
SCHEMBL31146874 0.81 LMNA (0.42) NPC1RAB9AAPLNRMAPTALDH1A1
SCHEMBL1457286 0.80 NPC1 (0.45) DCTPP1NPC1RAB9AAPLNRMAPT
SCHEMBL3787500 0.78 MERTK (0.59) DCTPP1MERTKNPC1MAPTALDH1A1
SCHEMBL25381487 0.76 LMNA (0.47) DCTPP1NPC1RAB9AAPLNRMAPT
SCHEMBL29388790 0.76 PIK3CA (0.40) DCTPP1NPC1RAB9AAPLNRMAPT
SCHEMBL20324230 0.76 PIK3CA (0.40) DCTPP1NPC1RAB9AAPLNRMAPT
SCHEMBL29809131 0.76 TP53 (0.39) DCTPP1MERTKNPC1RAB9AAPLNR
SCHEMBL29756227 0.75 LMNA (0.39) DCTPP1MERTKNPC1RAB9AAPLNR
SCHEMBL27213608 0.75 LMNA (0.39) DCTPP1MERTKNPC1RAB9AAPLNR

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
CN-116731038-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 苏州亚盛药业有限公司 2023-09-12 CN disclosed
EP-1924581-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS Pfizer, Inc. (US) 2008-05-28 EP disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 WO disclosed