SCHEMBL9775612

SCHEMBL9775612

O=C(NC(=Cc1ccccc1)c1cccs1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DAO P14920 1/20 0.41
GAA P10253 1/20 0.41
HPGDS O60760 1/20 0.41
HDAC1 Q13547 1/20 0.39
CTNNB1 P35222 1/20 0.39

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
SCHEMBL9775608 1.00 MAPT (0.46) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL9775580 0.79 AKR1C1 (0.44) MAPTKMT2AMEN1MAPK1RAB9A
SCHEMBL9775578 0.79 AKR1C1 (0.44) MAPTKMT2AMEN1MAPK1RAB9A
SCHEMBL1291055 0.76 HDAC1 (0.58) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL10363546 0.71 AKR1C3 (0.52) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9775586 0.71 AKR1C3 (0.52) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL28803434 0.71 SMN1; SMN2 (0.43) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL5471581 0.71 AKR1C1 (0.58) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL22279521 0.70 RAB9A (0.54) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL7664129 0.69 GLA (0.38) MAPTKMT2AMEN1MAPK1RAB9A

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