SCHEMBL8628476

SCHEMBL8628476

O=C(CBr)CSc1ccccc1.O=C(CBr)CSc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
FKBP1A P62942 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL5593977 1.00 FFAR1 (0.63) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL9179407 0.87 FFAR1 (0.74) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL13461018 0.79 FFAR1 (0.63) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL29033928 0.79 FFAR1 (0.63) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL7983926 0.79 FFAR1 (0.69) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL11244770 0.78 FFAR1 (0.68) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL74365 0.78 FFAR1 (1.00) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL10967471 0.78 FFAR1 (0.67) FFAR1ALDH1A1NPC1KMT2AMEN1
SCHEMBL2210143 0.78 FFAR1 (0.61) FFAR1ALDH1A1NPC1KMT2AMEN1
Ammonia Solution, Strong SCHEMBL6255246 0.76 FFAR1 (0.95) FFAR1ALDH1A1NPC1KMT2AMEN1

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
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed