SCHEMBL10035929

SCHEMBL10035929

COc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL1813611 0.84 MAPT (0.75) NPSR1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31203067 0.84 MAPT (0.75) NPSR1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1595672 0.84 MAPT (0.65) NPSR1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL3023182 0.83 ALDH1A1 (0.54) NPSR1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1594377 0.83 MAPT (0.54) NPSR1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5254187 0.81 HTT (0.49) NPSR1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15696780 0.80 ALDH1A1 (0.51) NPSR1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10035933 0.78 EHMT2 (0.49) ALDH1A1CYP3A4GAA
SCHEMBL12988943 0.78 EHMT2 (0.49) ALDH1A1CYP3A4GAA
SCHEMBL7034412 0.77 HTT (0.48) NPSR1L3MBTL1KMT2AALDH1A1SMN1; 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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed