SCHEMBL9655290

SCHEMBL9655290

CC1(c2ccc([N+](=O)[O-])c(Oc3c(Cl)cc(Cl)cc3Cl)c2)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
S1PR4 O95977 2/20 0.34
CYP2C9 P11712 1/20 0.34
THRA P10827 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTR6 P50406 1/20 0.32
MERTK Q12866 1/20 0.32
CHEK1 O14757 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9656966 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9536018 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL11087821 0.74 TSHR (0.49) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9658189 0.74 KMT2A (0.50) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9539004 0.74 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL11307832 0.71 HPGD (0.66) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL7208803 0.70 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL13478283 0.69 MEN1 (0.55) ALDH1A1MAPK1LMNAMAPTHSD17B10
SCHEMBL3015778 0.69 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9535762 0.69 ALDH1A1 (0.51) ALDH1A1LMNAMAPTTDP1HPGD

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-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-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed
EP-0273369-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-07-06 EP disclosed