SCHEMBL9775683

SCHEMBL9775683

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK10 P53779 1/20 0.45
TARBP2 Q15633 2/20 0.44
PDCD4 Q53EL6 1/20 0.44
GRM6 O15303 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL9775609 0.88 SMN1; SMN2 (0.48) POLBGAASMN1; SMN2TP53HTT
SCHEMBL9775636 0.87 SMN1; SMN2 (0.55) POLBGAASMN1; SMN2TP53MAPT
SCHEMBL9775695 0.77 ALDH1A1 (0.60) POLBGAASMN1; SMN2TP53HTT
SCHEMBL11373065 0.76 RORC (0.48) POLBGAASMN1; SMN2MAPTALDH1A1
SCHEMBL9775535 0.76 ALDH1A1 (0.47) POLBGAASMN1; SMN2TP53HTT
SCHEMBL10370033 0.75 KDM4E (0.49) POLBGAASMN1; SMN2MAPTMEN1
SCHEMBL15665869 0.75 GAA (0.51) POLBGAASMN1; SMN2TP53MAPT
SCHEMBL9775642 0.74 RAB9A (0.56) GAASMN1; SMN2TP53HTTMAPT
SCHEMBL20507211 0.74 HTT (0.53) POLBGAASMN1; SMN2TP53HTT
Ammonia Solution, Strong SCHEMBL10370588 0.73 KDM4E (0.48) POLBGAASMN1; SMN2MAPTMEN1

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