SCHEMBL7414630

SCHEMBL7414630

CCOC(=O)Cc1ccc2cc(CBr)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
MAOB P27338 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP4Z1 Q86W10 1/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MAPT P10636 2/20 0.43
F2 P00734 1/20 0.42
GAA P10253 1/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7419945 0.85 MAOB (0.49) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL3800271 0.85 GAA (0.56) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL31074140 0.85 CYP4F2 (0.48) CYP4F2CYP4A11MAOBSMN1; SMN2NPC1
SCHEMBL1125421 0.85 CYP4F2 (0.48) CYP4F2CYP4A11MAOBSMN1; SMN2NPC1
SCHEMBL1124344 0.84 CYP4Z1 (0.54) CYP4F2CYP4A11SMN1; SMN2NPC1PKM
SCHEMBL10411098 0.84 MAOB (0.51) MAOBSMN1; SMN2NPC1PKMNFKB1
Methane SCHEMBL10411744 0.83 MAOB (0.50) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL1403568 0.83 PTGS1 (0.67) MAOBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13900842 0.79 CYP4F2 (0.56) CYP4F2CYP4A11MAOBSMN1; SMN2MAPT
SCHEMBL24368273 0.79 MAOB (0.50) MAOBSMN1; SMN2NPC1PKMNFKB1

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-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed