SCHEMBL7678750

SCHEMBL7678750

COc1nc2cc(Cl)c(Cl)c(-n3c(CO)nnc3-c3cccnc3)c2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 6/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL6678132 0.91 OXTR (0.41) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL7677420 0.89 GLA (0.36) APLNR
SCHEMBL7682650 0.89 APLNR (0.38) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL27489462 0.89 APLNR (0.41) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL7681550 0.86 APLNR (0.41) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL7674184 0.85 SLC2A1 (0.37) APLNRHTTMEN1KMT2ATSHR
SCHEMBL7676180 0.84 ACHE (0.40) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL7676400 0.83 OXTR (0.41) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL7677312 0.83 OXTR (0.41) APLNRHTTMEN1MAPK1KMT2A
SCHEMBL7673869 0.82 ALDH1A1 (0.43) APLNRHTTMEN1KMT2ATSHR

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