SCHEMBL27770519

SCHEMBL27770519

[CH2]CC(=O)N(C)c1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
ENPP2 Q13822 1/20 0.41
SIGMAR1 Q99720 6/20 0.40
AOC3 Q16853 2/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
NOS3 P29474 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
PNMT P11086 1/20 0.37
TPSAB1 Q15661 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL27543329 0.85 LOXL2 (0.46) LOXL2ENPP2SIGMAR1NOS1NOS2
SCHEMBL16274690 0.82 CRHBP (0.46) LOXL2ENPP2SIGMAR1AOC3NOS1
SCHEMBL2288489 0.82 LOXL2 (0.46) LOXL2ENPP2SIGMAR1NOS1NOS2
Hydrochloric Acid SCHEMBL1868254 0.81 NOS1 (0.45) LOXL2ENPP2SIGMAR1NOS1NOS2
SCHEMBL95584 0.79 HSD17B1 (0.51) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13306211 0.78 LOXL2 (0.54) LOXL2ENPP2SIGMAR1NOS1NOS2
SCHEMBL27326764 0.77 KMT2A (0.54) LOXL2SIGMAR1ALDH1A1SMN1; SMN2OPRM1
SCHEMBL8279007 0.77 GRM5 (0.45) LOXL2ENPP2SIGMAR1NOS1NOS2
SCHEMBL27976614 0.76 SIGMAR1 (0.42) LOXL2ENPP2SIGMAR1CYP2D6OPRM1
Hydrochloric Acid SCHEMBL4934804 0.76 GRM5 (0.44) LOXL2ENPP2SIGMAR1NOS1NOS2

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed