Allisan

Allisan

SCHEMBL9579488

C=CCl.Nc1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.81
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.46
GPR35 Q9HC97 2/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 2/20 0.43
PDE7A Q13946 4/20 0.41
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.39
XDH P47989 1/20 0.38
TSHR P16473 1/20 0.38

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
Allisan SCHEMBL229362 0.90 ALDH1A1 (1.00) ALDH1A1HSD17B10KMT2AGPR35POLB
Allisan SCHEMBL9721958 0.88 ALDH1A1 (0.95) ALDH1A1HSD17B10KMT2AGPR35POLB
Allisan SCHEMBL10586241 0.86 ALDH1A1 (0.91) ALDH1A1HSD17B10KMT2AGPR35POLB
Allisan SCHEMBL28117103 0.84 ALDH1A1 (0.88) ALDH1A1HSD17B10KMT2AGPR35POLB
SCHEMBL1456294 0.81 ALDH1A1 (0.74) ALDH1A1HSD17B10KMT2AGPR35POLB
SCHEMBL11356042 0.80 ALDH1A1 (0.80) ALDH1A1HSD17B10KMT2AGPR35POLB
Pentachloronitrobenzene SCHEMBL4285722 0.79 ALDH1A1 (0.78) ALDH1A1HSD17B10KMT2AGPR35POLB
SCHEMBL1501666 0.78 ALDH1A1 (0.77) ALDH1A1HSD17B10KMT2AGPR35POLB
SCHEMBL29597525 0.78 ALDH1A1 (0.77) ALDH1A1HSD17B10KMT2AGPR35POLB
SCHEMBL2069936 0.77 ALDH1A1 (0.74) ALDH1A1HSD17B10KMT2AGPR35POLB

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-5208288-A Heat resistance KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed