SCHEMBL10036124

SCHEMBL10036124

COCOc1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 1/20 0.43
FGFR3 P22607 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
WDR5 P61964 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL10127604 0.91 ALDH1A1 (0.45) MAPTALDH1A1KDM4EFGFR3LMNA
SCHEMBL10036430 0.89 FGFR3 (0.47) MAPTALDH1A1KDM4EFGFR3LMNA
SCHEMBL30736225 0.89 ALDH1A1 (0.52) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL21808580 0.89 ALDH1A1 (0.52) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10036436 0.88 ALDH1A1 (0.52) MAPTALDH1A1KDM4EFGFR3LMNA
SCHEMBL30306155 0.88 ALDH1A1 (0.52) MAPTALDH1A1KDM4EFGFR3LMNA
SCHEMBL10036382 0.87 WDR5 (0.43) MAPTALDH1A1KDM4EFGFR3LMNA
SCHEMBL10036381 0.87 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27038673 0.86 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10036127 0.85 CHRNB2 (0.42) MAPTALDH1A1KDM4EFGFR3LMNA

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