SCHEMBL9775636

SCHEMBL9775636

CCOC(=O)c1c(C(F)(F)F)nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADORA3 P0DMS8 5/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 4/20 0.48
POLB P06746 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL9775695 0.89 ALDH1A1 (0.60) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL9775609 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL9775683 0.87 POLB (0.58) SMN1; SMN2MAPTALDH1A1KDM4EGAA
SCHEMBL9775535 0.87 ALDH1A1 (0.47) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL399026 0.79 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL10370033 0.77 KDM4E (0.49) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL10370588 0.76 KDM4E (0.48) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL9775599 0.76 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL28150311 0.76 MAPT (0.55) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL9775627 0.76 XPO1 (0.48) LMNAALDH1A1GAAMEN1KMT2A

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