SCHEMBL6978071

SCHEMBL6978071

COc1ccc2c(c1)c(OCCOc1ccc([N+](=O)[O-])cc1)nn2S(=O)(=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 2/20 0.43
CNR2 P34972 5/20 0.40
ACHE P22303 3/20 0.40
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
PTPN11 Q06124 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6965248 0.86 CNR2 (0.46) MEN1KMT2AMAPTSMN1; SMN2HTR6
SCHEMBL6967847 0.84 ALDH1A1 (0.45) MEN1KMT2AMAPTHTR6CNR2
SCHEMBL6972954 0.83 HTR6 (0.42) MEN1KMT2AMAPTHTR6CNR2
SCHEMBL6967854 0.80 PTPN11 (0.41) MEN1KMT2AMAPTCNR2ACHE
SCHEMBL6971751 0.75 CNR2 (0.41) MEN1KMT2AMAPTHTR6CNR2
SCHEMBL6968667 0.74 HTR6 (0.48) MEN1KMT2AMAPTSMN1; SMN2HTR6
SCHEMBL6962516 0.74 MAPT (0.45) MEN1KMT2AMAPTHTR6ALDH1A1
SCHEMBL6973326 0.73 CNR2 (0.58) MEN1KMT2AMAPTSMN1; SMN2CNR2
SCHEMBL6970702 0.73 HTR6 (0.47) MEN1KMT2AMAPTSMN1; SMN2HTR6
SCHEMBL6975698 0.73 HTR6 (0.39) MEN1KMT2AMAPTSMN1; SMN2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed