SCHEMBL29227166

SCHEMBL29227166

O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.49
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 1/20 0.44
PTPN1 P18031 2/20 0.44
CYP19A1 P11511 5/20 0.43
ERN1 O75460 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALOX5 P09917 1/20 0.42
PSEN1 P49768 1/20 0.42
CYP11B1 P15538 1/20 0.42

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
SCHEMBL7819820 0.88 MAPT (0.56) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13581060 0.88 CCR5 (0.49) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29227165 0.86 CYP19A1 (0.56) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25823927 0.84 CCR5 (0.46) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31215857 0.84 CCR5 (0.46) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29227222 0.84 CCR5 (0.57) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29151250 0.84 RXRA (0.56) MAPTNPC1RAB9ASMN1; SMN2MAOA
SCHEMBL6927459 0.84 CYP19A1 (0.57) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6926436 0.83 MAPT (0.62) CCR5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29074783 0.82 PTPN1 (0.50) CCR5MAPTMAOAMAOBMEN1

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
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 CN disclosed