SCHEMBL18506328

SCHEMBL18506328

C=C(Cl)c1ccc(OC)cc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 15/20 0.53
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL531476 0.83 CPS1 (0.54) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL30820833 0.83 CPS1 (0.54) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL10086344 0.83 CPS1 (0.54) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL1555099 0.81 CPS1 (0.61) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL13470770 0.79 MAPT (0.58) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL18489238 0.79 CPS1 (0.50) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL18502969 0.79 CPS1 (0.50) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL18489241 0.79 CPS1 (0.50) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL28102429 0.79 CPS1 (0.57) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL15226106 0.78 CPS1 (0.61) CPS1HPGDMEN1LMNAKMT2A

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
WO-2017027600-A1 GEMINAL SUBSTITUTED AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF α7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-02-16 WO disclosed