SCHEMBL28548830

SCHEMBL28548830

CCOC(=O)c1cc(F)c2nc(Cl)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
ALPL P05186 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
STAT1 P42224 1/20 0.42
SLC2A1 P11166 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
PTPN11 Q06124 1/20 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
SCHEMBL20951881 0.85 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL20554184 0.85 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL22654681 0.84 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL19899989 0.84 ALDH1A1 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL28548876 0.83 HSD17B2 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL20554157 0.79 NR1H4 (0.39) GAALMNA
SCHEMBL20952011 0.76 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1094691 0.76 NPC1 (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL20943936 0.76 CA12 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL30617282 0.74 RAB9A (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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-108341822-B FXR receptor modulator and preparation method and application thereof 广州市恒诺康医药科技有限公司 2021-04-16 CN disclosed