SCHEMBL20140425

SCHEMBL20140425

Fc1ccccc1-c1ccc(N2CCCC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.49
AR P10275 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MCL1 Q07820 1/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
HIF1A Q16665 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.42
TERT O14746 2/20 0.42
HPGD P15428 2/20 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
SCHEMBL18411537 0.82 PDK2 (0.46) PDK2ALDH1A1MAPTNPC1TP53
SCHEMBL3892797 0.80 ALDH1A1 (0.49) PDK2ARALDH1A1MAPTNPC1
SCHEMBL2933216 0.78 LMNA (0.51) ALDH1A1MAPTNPC1TP53RAB9A
SCHEMBL28168702 0.76 LMNA (0.54) ALDH1A1MAPTNPC1TP53RAB9A
SCHEMBL27009920 0.73 TERT (0.44) PDK2ALDH1A1MAPTNPC1TP53
SCHEMBL22289269 0.73 ALDH1A1 (0.61) ALDH1A1MAPTNPC1TP53RAB9A
SCHEMBL19998610 0.73 HPGD (0.47) ALDH1A1MAPTNPC1TP53RAB9A
SCHEMBL17514156 0.73 ADRB1 (0.47) ALDH1A1MAPTNPC1TP53RAB9A
SCHEMBL10899967 0.73 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12721277 0.72 LTA4H (0.44) ARALDH1A1MAPTNPC1TP53

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-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed