SCHEMBL9876993

SCHEMBL9876993

N#CC(C#N)=Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
VCAM1 P19320 1/20 0.55
EGFR P00533 2/20 0.52
HSD17B10 Q99714 2/20 0.51
TRPA1 O75762 1/20 0.51
HTT P42858 1/20 0.47
KMT2A Q03164 4/20 0.46
AMY1A P0DUB6 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ERN1 O75460 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
SCHEMBL6686433 0.89 MAPT (0.56) MAPTVCAM1EGFRHSD17B10TRPA1
SCHEMBL11442634 0.81 MAPT (1.00) MAPTVCAM1EGFRHSD17B10HTT
SCHEMBL11442635 0.81 MAPT (1.00) MAPTVCAM1EGFRHSD17B10HTT
SCHEMBL6684887 0.81 EGFR (0.56) MAPTEGFRHSD17B10KMT2AALDH1A1
SCHEMBL21865015 0.81 EGFR (0.60) MAPTEGFRHSD17B10HTTKMT2A
SCHEMBL11442336 0.80 MAPT (0.60) MAPTVCAM1HSD17B10HTTKMT2A
SCHEMBL11442333 0.80 MAPT (0.60) MAPTVCAM1HSD17B10HTTKMT2A
SCHEMBL29289213 0.76 MAPT (0.55) MAPTVCAM1HSD17B10KMT2AALDH1A1
SCHEMBL29289216 0.76 MAPT (0.55) MAPTVCAM1HSD17B10KMT2AALDH1A1
SCHEMBL16951936 0.76 HSD17B10 (0.62) MAPTVCAM1HSD17B10HTTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed
US-4184871-A A,B-UNSATURATED NITRILE SENSITIZER MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1980-01-22 US disclosed