SCHEMBL9775591

SCHEMBL9775591

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
SCD O00767 1/20 0.46
LMNA P02545 3/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADORA2A P29274 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44

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
SCHEMBL9775629 0.89 MAPK1 (0.44) RAB9ANPC1POLBMAPK1TSHR
SCHEMBL9775626 0.78 RAB9A (0.49) RAB9ANPC1POLBMAPK1TSHR
SCHEMBL9837900 0.76 HSPA5 (0.43) RAB9ANPC1TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10663011 0.76 HSPA5 (0.42) RAB9ANPC1TSHRLMNASMN1; SMN2
SCHEMBL9775624 0.75 RAB9A (0.54) RAB9ANPC1POLBMAPK1TSHR
SCHEMBL10662601 0.73 ALDH1A1 (0.53) RAB9ANPC1POLBTSHRSCD
SCHEMBL9775664 0.73 CYP1A2 (0.59) RAB9ANPC1MAPK1SCDLMNA
Hydrochloric Acid SCHEMBL10666669 0.72 ALDH1A1 (0.52) RAB9ANPC1POLBTSHRSCD
SCHEMBL9775616 0.71 RAB9A (0.50) RAB9ANPC1POLBMAPK1TSHR
SCHEMBL9775653 0.71 MEN1 (0.46) RAB9ANPC1POLBMAPK1TSHR

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