SCHEMBL9536018

SCHEMBL9536018

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 4/20 0.49
MAPK1 P28482 2/20 0.49
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE7A Q13946 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
CYP3A4 P08684 2/20 0.37

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
SCHEMBL9655290 0.80 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1MAPTLMNA
SCHEMBL9656966 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MAPTLMNA
SCHEMBL3015778 0.79 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1CA1CA2
SCHEMBL9539004 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1MAPTLMNA
SCHEMBL9535762 0.78 ALDH1A1 (0.51) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL2082451 0.75 HSD17B10 (0.47) ALDH1A1MAPK1MAPTLMNAHSD17B10
SCHEMBL14253687 0.73 KDM1A (0.53) ALDH1A1TSHRMAPK1LMNATDP1
SCHEMBL11859145 0.72 LMNA (0.43) ALDH1A1TSHRMAPK1MAPTLMNA
SCHEMBL7366250 0.70 VCAM1 (0.48) TSHRMAPK1HSD17B10TDP1CYP3A4
SCHEMBL15046820 0.70 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1MAPTLMNA

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 5 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
EP-0273369-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
US-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 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