SCHEMBL9119583

SCHEMBL9119583

C=C(C)C(=O)OCCCNc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
GLA P06280 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX12 P18054 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 12/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.40
MMP14 P50281 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL9120622 0.96 ALDH1A1 (0.51) ALDH1A1GLASMN1; SMN2ALOX12HPGD
SCHEMBL9469435 0.86 ALDH1A1 (0.56) ALDH1A1GLASMN1; SMN2ALOX12HPGD
SCHEMBL9503017 0.83 POLB (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14264211 0.83 MAPT (0.44) ALDH1A1GLASMN1; SMN2MAPTMEN1
SCHEMBL9650805 0.83 ALDH1A1 (0.51) ALDH1A1GLASMN1; SMN2ALOX12HPGD
SCHEMBL9499693 0.82 TDP1 (0.57) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL9499865 0.82 TDP1 (0.57) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL13941286 0.81 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2ALOX12HPGD
SCHEMBL13398220 0.81 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2ALOX12MAPT
SCHEMBL9123069 0.81 MEN1 (0.41) ALDH1A1GLASMN1; SMN2MAPTMEN1

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
US-5384378-A (meth)acrylate monomers; prevention of relaxation after orientation BASF AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed