SCHEMBL31036744

SCHEMBL31036744

Cc1nc2ccc(F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
GFER P55789 2/20 0.61
AXL P30530 1/20 0.61
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.57
PKM P14618 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.53

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
SCHEMBL2615304 1.00 SMN1; SMN2 (0.61) SMN1; SMN2GFERAXLALDH1A1NPC1
SCHEMBL2615303 1.00 SMN1; SMN2 (0.61) SMN1; SMN2GFERAXLALDH1A1NPC1
SCHEMBL13862702 0.85 APP (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1319670 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL30421999 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9255622 0.79 GFER (0.66) SMN1; SMN2GFERAXLALDH1A1NPC1
SCHEMBL84327 0.79 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL30542465 0.79 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1639031 0.78 GFER (0.63) SMN1; SMN2GFERAXLALDH1A1NPC1
SCHEMBL7218469 0.77 GFER (0.58) SMN1; SMN2GFERAXLALDH1A1NPC1

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
CN-112955446-B 6-Fluoro-2-methylbenzo [ D ] thiazol-5-yl compounds 伊莱利利公司 2024-07-12 CN disclosed