SCHEMBL10797159

SCHEMBL10797159

CC(C)(C)c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
CTSD P07339 1/20 0.43
CAPN1 P07384 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSH P09668 1/20 0.43
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40

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
SCHEMBL10797260 0.85 MAPK1 (0.62) MAPK1L3MBTL1ALDH1A1HTTLMNA
SCHEMBL11741174 0.83 MAPK1 (0.53) MAPK1TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10796457 0.83 TSHR (0.41) MAPK1TSHRALDH1A1HTTLMNA
SCHEMBL10799427 0.82 MAPK1 (0.43) MAPK1TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10801619 0.82 L3MBTL1 (0.44) MAPK1TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10797312 0.78 GSK3B (0.46) MAPK1L3MBTL1ALDH1A1HTTNPC1
SCHEMBL14234732 0.78 MAPK1 (0.47) MAPK1TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10799904 0.78 MAPT (0.52) MAPK1L3MBTL1ALDH1A1HTTLMNA
SCHEMBL10801744 0.77 MAPK1 (0.53) MAPK1L3MBTL1ALDH1A1HTTLMNA
SCHEMBL10799459 0.77 ALDH1A1 (0.45) MAPK1TSHRL3MBTL1ALDH1A1HTT

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-4670596-A INSECTICIDE, MITICIDE ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed