SCHEMBL9775642

SCHEMBL9775642

COc1ccc(-c2nc(C(F)(F)F)c(C(=O)Nc3nccs3)c(O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
PKM P14618 1/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 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
SCHEMBL9775581 0.87 NPC1 (0.48) RAB9ANPC1MGAMGAASI
SCHEMBL9775626 0.87 RAB9A (0.49) RAB9ANPC1MGAMGAASI
SCHEMBL11192028 0.81 HPGDS (0.52) RAB9ANPC1MGAMGAASI
SCHEMBL9775653 0.80 MEN1 (0.46) RAB9ANPC1MGAMGAASI
SCHEMBL9775604 0.79 RAB9A (0.49) RAB9ANPC1MGAMGAASI
SCHEMBL9775616 0.78 RAB9A (0.50) RAB9ANPC1MGAMGAASI
SCHEMBL2753283 0.75 RAB9A (0.92) RAB9ANPC1MGAMGAASI
SCHEMBL9775683 0.74 POLB (0.58) GAASMN1; SMN2TP53MEN1KMT2A
SCHEMBL28478360 0.74 RAB9A (1.00) RAB9ANPC1MGAMGAASI
SCHEMBL11200295 0.72 ALDH1A1 (0.54) RAB9ANPC1LMNASMN1; SMN2TSHR

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
US-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US disclosed
US-4925859-A Novel 4-hydroxy-3-pyridine-carboxamides useful for treating inflammation and rheumatism ROUSSEL UCLAF (FR) 1990-05-15 US disclosed