SCHEMBL11492017

SCHEMBL11492017

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 5/20 0.49
PKM P14618 1/20 0.49
CTSD P07339 1/20 0.46
CAPN1 P07384 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSH P09668 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
APP P05067 1/20 0.43
PDE7A Q13946 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VCAM1 P19320 1/20 0.42

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
SCHEMBL8884629 0.87 MAPK1 (0.56) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL5384243 0.87 L3MBTL1 (0.61) TSHRMAPK1L3MBTL1MAPTPKM
Nitric Acid SCHEMBL11144683 0.82 TSHR (0.50) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL4930639 0.81 L3MBTL1 (0.62) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL9539004 0.80 ALDH1A1 (0.44) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL11741174 0.80 MAPK1 (0.53) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL3253899 0.79 L3MBTL1 (0.77) TSHRMAPK1L3MBTL1MAPTPKM
Hydrochloric Acid SCHEMBL11533078 0.78 MAPK1 (0.57) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL11479021 0.78 MAPT (0.59) TSHRMAPK1L3MBTL1MAPTPKM
SCHEMBL2329868 0.78 L3MBTL1 (0.51) TSHRMAPK1L3MBTL1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4213982-A USE TO PROMOTE GROWTH RATE OR FEED EFFICIENCY IN LIVESTOCK E. R. SQUIBB & SONS, INC. (US) 1980-07-22 US disclosed
US-4164580-A 4H-s-Triazolo[4,3-a][1,5]benzodiazepin-5-ones as tranquilizers E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US disclosed
US-4164498-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, TRANQUILIZERS, SEDATIVES, GROWTH PROMOTERS, ANTICONVULSANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US disclosed
US-4133809-A DEPRESSANTS, TRANQUILIZERS, SEDATIVES, GROWTH PROMOTERS, ANTICONVULSANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1979-01-09 US disclosed
US-4070355-A CNS DEPRESSANTS, SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1978-01-24 US disclosed
US-4033947-A CNS DEPRESSANTS, SEDATIVES, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1977-07-05 US disclosed