SCHEMBL11540202

SCHEMBL11540202

CC(=O)c1ccc(-c2ccccc2F)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.50
PRKCI P41743 1/20 0.46
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
PDK2 Q15119 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
CREBBP Q92793 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
MAOB P27338 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL3780641 0.86 S100A4 (0.56) S100A4PRKCIMAPTALDH1A1NPC1
SCHEMBL11725835 0.86 S100A4 (0.56) S100A4MAPTALDH1A1NPC1RAB9A
SCHEMBL11542046 0.84 MAOB (0.48) S100A4PRKCIMAPTALDH1A1NPC1
SCHEMBL11540945 0.83 S100A4 (0.53) S100A4MAPTALDH1A1NPC1RAB9A
SCHEMBL11308153 0.83 S100A4 (0.56) S100A4MAPTALDH1A1NPC1RAB9A
SCHEMBL11739637 0.81 PRKCI (0.44) S100A4PRKCIMAPTNPC1RAB9A
SCHEMBL11541429 0.78 L3MBTL1 (0.49) S100A4MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3800105 0.78 MAPT (0.55) S100A4PRKCIMAPTALDH1A1NPC1
SCHEMBL935912 0.77 PRKCI (0.56) PRKCIMAPTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL9537225 0.77 MAPT (0.53) S100A4PRKCIMAPTALDH1A1NPC1

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-4153807-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS THE BOOTS COMPANY LIMITED (GB) 1979-05-08 US disclosed
US-4048332-A Phenylalkanoic acids THE BOOTS COMPANY LIMITED (EN) 1977-09-13 US disclosed