SCHEMBL9775629

SCHEMBL9775629

CCC(OC)c1nc(-c2ccccc2)c(-c2ccccc2)c(O)c1C(=O)Nc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 5/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCD O00767 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9775591 0.89 RAB9A (0.46) MAPK1MGAMGAASIMGAM2
SCHEMBL9775599 0.77 SMN1; SMN2 (0.52) GAARAB9APOLBNPC1LMNA
SCHEMBL9775626 0.75 RAB9A (0.49) MAPK1MGAMGAASIMGAM2
SCHEMBL9775624 0.72 RAB9A (0.54) MAPK1MGAMGAASIMGAM2
SCHEMBL9775664 0.70 CYP1A2 (0.59) MAPK1MGAMGAASIMGAM2
SCHEMBL9775642 0.70 RAB9A (0.56) MAPK1MGAMGAASIMGAM2
SCHEMBL9837932 0.70 NPC1 (0.42) MAPK1ALOX15RAB9ANPC1SCD
SCHEMBL10667122 0.70 KDM4E (0.40) MAPK1ALOX15MEN1MAPTKMT2A
SCHEMBL9775616 0.69 RAB9A (0.50) MAPK1MGAMGAASIMGAM2
SCHEMBL9775653 0.69 MEN1 (0.46) MAPK1MGAMGAASIMGAM2

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