SCHEMBL9218700

SCHEMBL9218700

C=CCNc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 8/20 0.50
PKM P14618 3/20 0.50
HCAR3 P49019 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1252601 0.83 HCAR3 (0.66) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9220760 0.82 HCAR3 (0.50) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9654359 0.82 MAPT (0.59) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4034943 0.82 POLB (0.57) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8521877 0.78 RECQL (0.58) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6572192 0.77 HCAR3 (0.49) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL17538567 0.77 MEN1 (0.57) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5201964 0.77 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL29567126 0.77 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL10653490 0.77 MEN1 (0.57) KMT2AMEN1ALDH1A1LMNAMAPT

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-1995000109-A1 USE OF N-ALLYLAMINO AROMATICS IN OXIDATIVE DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-01-05 WO disclosed