SCHEMBL9775604

SCHEMBL9775604

Cc1c(-c2ccccc2)nc(C(F)(F)F)c(C(=O)Nc2nccs2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 4/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45

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
SCHEMBL9775626 0.90 RAB9A (0.49) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL9775616 0.87 RAB9A (0.50) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL9775624 0.86 RAB9A (0.54) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL9775653 0.84 MEN1 (0.46) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL11200295 0.81 ALDH1A1 (0.54) RAB9APOLBTSHRNPC1LMNA
SCHEMBL9775581 0.80 NPC1 (0.48) RAB9APOLBNPC1LMNASMN1; SMN2
SCHEMBL9775642 0.79 RAB9A (0.56) RAB9ATSHRMAPK1NPC1LMNA
SCHEMBL11619593 0.77 LMNA (0.47) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL11148448 0.76 HTT (0.46) RAB9ATSHRNPC1LMNASMN1; SMN2
SCHEMBL11148451 0.76 NPC1 (0.45) RAB9APOLBNPC1LMNASMN1; SMN2

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