SCHEMBL16168486

SCHEMBL16168486

N=C1/C(=C\C(N)=O)CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
NOTUM Q6P988 1/20 0.43
MAPT P10636 3/20 0.43
MIF P14174 2/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP19A1 P11511 4/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8780459 0.87 RXRA (0.56) RXRANOTUMMAPTMIFALDH1A1
SCHEMBL8780455 0.87 RXRA (0.56) RXRANOTUMMAPTMIFALDH1A1
SCHEMBL24820924 0.79 CYP19A1 (0.38) RXRAMAPTMIFALDH1A1SMN1; SMN2
SCHEMBL9391471 0.77 CES1 (0.45) RXRANOTUMMIFSMN1; SMN2MAOA
SCHEMBL9391477 0.77 CES1 (0.45) RXRANOTUMMIFSMN1; SMN2MAOA
SCHEMBL9391470 0.77 CES1 (0.45) RXRANOTUMMIFSMN1; SMN2MAOA
SCHEMBL8923628 0.72 RXRA (0.60) RXRANOTUMMAPTMIFALDH1A1
SCHEMBL8923632 0.72 RXRA (0.60) RXRANOTUMMAPTMIFALDH1A1
SCHEMBL12629637 0.72 RXRA (0.60) RXRANOTUMMAPTMIFALDH1A1
SCHEMBL6756019 0.70 MAOA (0.52) RXRAMAPTSMN1; SMN2NPC1TP53

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-2387395-B1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS INC (US) 2014-10-15 EP disclosed