SCHEMBL17023237

SCHEMBL17023237

CCCCn1ccc2cc([N+](=O)[O-])cc(C#N)c21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
GAA P10253 3/20 0.45
VCAM1 P19320 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRM2 Q14416 2/20 0.38
XDH P47989 1/20 0.37
AR P10275 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17060395 0.80 CNR2 (0.37) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL15732879 0.76 NQO2 (0.37) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL2479169 0.74 HTR7 (0.47) MAPT
SCHEMBL2476855 0.73 GRM2 (0.38) LMNAMEN1KMT2AGRM2AR
SCHEMBL17023236 0.71 HTR7 (0.59) MAPTAR
SCHEMBL27912918 0.71 GLO1 (0.47) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17060308 0.70 CNR2 (0.34) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17060309 0.70 CNR2 (0.34) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17060287 0.70 NQO2 (0.38) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL15732940 0.69 DGAT1 (0.43) LMNAGAAALDH1A1MAPTMEN1

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-2007756-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-08-26 EP disclosed