SCHEMBL7064971

SCHEMBL7064971

C=C(C(=O)NCCCN1CCCC1=O)c1cc[c]c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 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
SCHEMBL6913722 0.81 RAB9A (0.50) RAB9ANPC1KMT2AL3MBTL1ATM
SCHEMBL7064969 0.79 ITGB2 (0.49) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3721530 0.68 KMT2A (0.54) RAB9ANPC1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL6217665 0.68 ITGB2 (0.48) RAB9ANPC1KMT2AL3MBTL1ATM
SCHEMBL425351 0.67 SMN1; SMN2 (0.57) RAB9ANPC1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11479783 0.66 KMT2A (0.67) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL5830370 0.66 ITGB2 (0.54) RAB9ANPC1KMT2AATMALDH1A1
SCHEMBL7662359 0.66 L3MBTL1 (0.50) RAB9ANPC1KMT2AL3MBTL1ATM
SCHEMBL3033526 0.66 SMN1; SMN2 (0.66) KMT2AL3MBTL1SMN1; SMN2MEN1CYP2C19
SCHEMBL7064158 0.66 KDM4E (0.36) KMT2AMEN1CYP2C19ALDH1A1TSHR

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-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed