SCHEMBL9775626

SCHEMBL9775626

O=C(Nc1nccs1)c1c(C(F)(F)F)nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 3/20 0.48
SCD O00767 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9775653 0.92 MEN1 (0.46) RAB9ANPC1LMNASCDMETAP2
SCHEMBL9775604 0.90 RAB9A (0.49) RAB9ANPC1LMNASCDMETAP2
SCHEMBL9775581 0.90 NPC1 (0.48) RAB9ANPC1LMNAMETAP2METAP1
SCHEMBL9775616 0.88 RAB9A (0.50) RAB9ANPC1LMNASCDMETAP2
SCHEMBL9775642 0.87 RAB9A (0.56) RAB9ANPC1LMNASMN1; SMN2MEN1
SCHEMBL9775627 0.83 XPO1 (0.48) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL9775573 0.83 RAB9A (0.50) RAB9ANPC1LMNASMN1; SMN2L3MBTL1
SCHEMBL11200295 0.83 ALDH1A1 (0.54) RAB9ANPC1LMNASCDMETAP2
SCHEMBL9775591 0.78 RAB9A (0.46) RAB9ANPC1LMNASCDMETAP2
SCHEMBL9775656 0.77 NPC1 (0.51) RAB9ANPC1LMNASMN1; SMN2MEN1

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