SCHEMBL21715299

SCHEMBL21715299

FOC1CN(c2cccc(Br)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MGLL Q99685 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.34
SLC18A3 Q16572 2/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL19464246 0.80 ALOX5 (0.43) ALOX5MEN1KMT2AMGLLATM
SCHEMBL2299566 0.79 SCN9A (0.53) ALOX5
SCHEMBL2378804 0.77 ALOX5 (0.43) ALOX5MEN1KMT2AMGLLATM
SCHEMBL21683097 0.77 ALOX5 (0.43) ALOX5MEN1KMT2AMGLLATM
SCHEMBL5230422 0.75 HSD17B10 (0.43) ALOX5MEN1KMT2AMGLLATM
SCHEMBL3121487 0.74 USP30 (0.47) ALOX5ATML3MBTL1
SCHEMBL31127631 0.74 CHRNB4 (0.45) ALOX5MEN1KMT2AMGLL
SCHEMBL12372623 0.72 ALOX5 (0.40) ALOX5MEN1KMT2AMGLLATM
SCHEMBL22055528 0.72 ALOX5 (0.54) ALOX5MEN1KMT2AMGLLALDH1A1
SCHEMBL19690169 0.72 ALOX5 (0.54) ALOX5MEN1KMT2AMGLLALDH1A1

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-2020033382-A1 COMPOUNDS USEFUL IN MODULATING THE FARNESOID X RECEPTOR AND METHODS OF MAKING AND USING THE SAME INORBIT THERAPEUTICS AB (SE) 2020-02-13 WO disclosed