SCHEMBL6966140

SCHEMBL6966140

COc1ccc2c(c1)c(OCc1cc([N+](=O)[O-])cc3c1OCOC3)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 3/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 3/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADRB2 P07550 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL6971073 0.93 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6977568 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6968493 0.89 HTR6 (0.40) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL6967847 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL6972368 0.77 HTR6 (0.40) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6965738 0.76 MAPT (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6975698 0.76 HTR6 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6973246 0.75 KMT2A (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6977903 0.73 AR (0.46) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL6965248 0.73 CNR2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2POLB

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