SCHEMBL9870917

SCHEMBL9870917

[c]1c(-c2ccccc2)cnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.35
HTT P42858 2/20 0.35
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPK1 P28482 1/20 0.34
BCHE P06276 1/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8096268 0.73 KDM4E (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4878663 0.72 NPC1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4476804 0.71 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL16289117 0.71 BCHE (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4466341 0.71 CYP1A2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4365682 0.71 PDE10A (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18170739 0.71 CDK8 (0.47) PDGFRBPDGFRAMAPK1
SCHEMBL9870873 0.68 LMNA (0.38) NPC1RAB9AALDH1A1HPGDPDE10A
SCHEMBL10671059 0.68 CKS1B (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16289536 0.67 PDE10A (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed