SCHEMBL9539004

SCHEMBL9539004

CC1(c2ccc([N+](=O)[O-])c(Nc3ccc(Cl)cc3Cl)c2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.43
TSHR P16473 2/20 0.43
CTSD P07339 1/20 0.40
CAPN1 P07384 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 6/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL11492017 0.80 TSHR (0.62) ALDH1A1MAPK1TSHRCTSDCAPN1
SCHEMBL9535568 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1MAPTLMNA
SCHEMBL9536018 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1TSHRMAPTLMNA
SCHEMBL9655290 0.74 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL5384243 0.72 L3MBTL1 (0.61) ALDH1A1MAPK1TSHRL3MBTL1MAPT
SCHEMBL8884629 0.69 MAPK1 (0.56) ALDH1A1MAPK1TSHRL3MBTL1MAPT
SCHEMBL9656966 0.69 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRMAPTLMNA
SCHEMBL3015778 0.68 ALDH1A1 (0.51) ALDH1A1MAPK1TSHRL3MBTL1MAPT
SCHEMBL11741174 0.68 MAPK1 (0.53) ALDH1A1MAPK1TSHRCTSDCAPN1
Nitric Acid SCHEMBL11144683 0.68 TSHR (0.50) ALDH1A1MAPK1TSHRCTSDCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed