SCHEMBL9535762

SCHEMBL9535762

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
VCAM1 P19320 4/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 4/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
CYP1A2 P05177 2/20 0.38
GRM6 O15303 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C9 P11712 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 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
SCHEMBL9536018 0.78 ALDH1A1 (0.54) ALDH1A1VCAM1MAPTCYP1A2CYP2C9
SCHEMBL3015778 0.75 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2ALOX15CYP2C9
SCHEMBL698847 0.72 VCAM1 (0.66) ALDH1A1VCAM1MAPTGRIA1GRIA2
SCHEMBL2082451 0.72 HSD17B10 (0.47) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL17888574 0.72 CYP11B1 (0.47) ALDH1A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL1343668 0.71 TSHR (0.60) ALDH1A1VCAM1MAPTGRIA1GRIA2
SCHEMBL10398270 0.71 VCAM1 (0.50) ALDH1A1VCAM1MAPTGRIA1GRIA2
SCHEMBL14253687 0.70 KDM1A (0.53) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL16953629 0.70 VCAM1 (0.46) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL3053373 0.69 MAPK1 (0.47) ALDH1A1VCAM1MAPTGRIA1GRIA2

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