SCHEMBL8668434

SCHEMBL8668434

O=[N+]([O-])c1ccc(C2(C3(c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 3/20 0.44
PDE4D Q08499 1/20 0.44
CHRM1 P11229 1/20 0.43
CES2 O00748 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HSP90AA1 P07900 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TLR9 Q9NR96 1/20 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
SCHEMBL10643820 0.84 HSD17B10 (0.46) SMN1; SMN2MAPTLMNAHPGDPDE4D
SCHEMBL80422 0.83 TDP1 (0.49) MAPTLMNATDP1HPGDALDH1A1
SCHEMBL30254595 0.83 TDP1 (0.49) MAPTLMNATDP1HPGDALDH1A1
SCHEMBL8666383 0.82 TDP1 (0.47) SMN1; SMN2MAPTLMNAMITFHTT
SCHEMBL490715 0.73 AKR1C3 (0.46) SMN1; SMN2MAPTHTTALDH1A1MAPK1
SCHEMBL2137404 0.72 ALDH1A1 (0.63) SMN1; SMN2MAPTLMNAMITFHTT
Water SCHEMBL27408458 0.70 ALDH1A1 (0.61) SMN1; SMN2MAPTLMNAMITFHTT
SCHEMBL490742 0.69 NPC1 (0.53) SMN1; SMN2MAPTLMNATDP1ALDH1A1
Formaldehyde SCHEMBL29219144 0.69 ALDH1A1 (0.59) SMN1; SMN2MAPTLMNAMITFHTT
SCHEMBL10904251 0.68 ALDH1A1 (0.63) SMN1; SMN2LMNATDP1HPGDCES2

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-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed