SCHEMBL7682758

SCHEMBL7682758

COc1nc2cc(Cl)c(Cl)c(-c3cccnc3)c2nc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.46
CYP11B1 P15538 6/20 0.46
CYP19A1 P11511 4/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CYP17A1 P05093 5/20 0.43
CYP3A4 P08684 3/20 0.43
NPC1 O15118 5/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 4/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL27434418 0.84 ALDH1A1 (0.43) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7676130 0.84 MAPT (0.40) HPGDNPC1PDGFRBPDGFRASQOR
SCHEMBL7673152 0.77 CYP11B2 (0.38) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7681550 0.76 APLNR (0.41) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL6678132 0.74 OXTR (0.41) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7678750 0.74 APLNR (0.39) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7680558 0.73 SMN1; SMN2 (0.37) ALDH1A1HPGDCYP3A4NPC1SQOR
SCHEMBL7673869 0.73 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4NPC1MAPT
SCHEMBL7682650 0.73 APLNR (0.38) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7675073 0.72 NPC1 (0.36) HPGDCYP3A4NPC1SQORMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed