SCHEMBL6970836

SCHEMBL6970836

COc1ccc2c(c1)c(OCC(=O)c1ccc3c(c1)CCC(=O)N3)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
CRBN Q96SW2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL8042454 0.89 KCNA5 (0.42) CRBNALDH1A1CYP3A4CYP2C9MAPT
SCHEMBL6967908 0.84 HTR6 (0.36) PKMALDH1A1USP2MAPTMAPK1
SCHEMBL6967437 0.81 KMT2A (0.43) ALDH1A1MAPTHTR6KMT2A
SCHEMBL6975974 0.81 AKR1C3 (0.48) CYP2C9MAPTCYP1A2L3MBTL1HTR6
SCHEMBL6965033 0.78 AKR1C3 (0.44) PKMALDH1A1CYP2C9MAPTCYP1A2
SCHEMBL6968051 0.77 AKR1C3 (0.46) PKMALDH1A1MAPK1HTR6
SCHEMBL6967341 0.77 MAPT (0.44) CRBNALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL6967255 0.76 AKR1C3 (0.42) PKMHTR6
SCHEMBL8042460 0.76 KCNA5 (0.39) ALDH1A1CYP3A4CYP2C9USP2MAPT
SCHEMBL6972542 0.75 MAPT (0.47) ALDH1A1CYP3A4CYP2C9MAPTCYP1A2

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 4 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
US-6166023-A 1,5- and 3-O-substituted 1H-indazoles having anti-asthmatic, anti-allergic, anti-inflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-26 US 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
US-6166023-A 1,5- and 3-O-substituted 1H-indazoles having anti-asthmatic, anti-allergic, anti-inflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-26 US disclosed