SCHEMBL9775609

SCHEMBL9775609

CCOC(=O)c1c(C(F)(F)F)nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
XBP1 P17861 1/20 0.48
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
LMNA P02545 3/20 0.44
PRKCZ Q05513 2/20 0.43
TARBP2 Q15633 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
ALOX5 P09917 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9775636 0.88 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL9775683 0.88 POLB (0.58) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL829828 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL9775695 0.78 ALDH1A1 (0.60) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL832925 0.77 ALDH1A1 (0.54) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL9775535 0.77 ALDH1A1 (0.47) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL10370033 0.76 KDM4E (0.49) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL16048432 0.75 MAPT (0.54) SMN1; SMN2MAPTKMT2APOLBMEN1
Ammonia Solution, Strong SCHEMBL10370588 0.74 KDM4E (0.48) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL10333152 0.73 KDM4E (0.47) SMN1; SMN2MAPTKMT2APOLBMEN1

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