SCHEMBL7534680

SCHEMBL7534680

CN(Cc1ccc2c(c1F)CN(Nc1ccncc1)C2)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7484298 0.85 NAMPT (0.36) NAMPTKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL7539760 0.81 GAA (0.33) NAMPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL7480188 0.76 KCNH2 (0.35) KDM4EGAA
Hydrochloric Acid SCHEMBL7481921 0.75 KCNH2 (0.34) KDM4EALDH1A1GAA
SCHEMBL7477144 0.74 NISCH (0.31)
Bromide SCHEMBL7480922 0.73 NISCH (0.30)
SCHEMBL7482870 0.71 ABHD6 (0.48) NAMPTSMN1; SMN2
SCHEMBL7480314 0.71 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7481798 0.70 ABHD6 (0.46) NAMPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7481794 0.70 ABHD6 (0.46) NAMPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed