SCHEMBL6971590

SCHEMBL6971590

COc1ccc2c(c1)c(OCCOc1ccc(C#N)cc1)nn2S(=O)(=O)c1ccc(C)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ADAM17 P78536 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
BRD4 O60885 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BRPF3 Q9ULD4 1/20 0.35
TRPV4 Q9HBA0 2/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL6968042 0.88 KMT2A (0.43) AKR1C3AKR1C2ADAM17PIK3R1PIK3CA
SCHEMBL6967854 0.87 PTPN11 (0.41) PIK3R1PIK3CAMAPTALDH1A1MEN1
SCHEMBL6972549 0.82 KMT2A (0.39) MAPTALDH1A1CA12CA1CA2
SCHEMBL6977906 0.81 CNR2 (0.40) CA12CA1CA2CA4CA9
SCHEMBL6968667 0.78 HTR6 (0.48) AKR1C3AKR1C2PTGDR2MAPTALDH1A1
SCHEMBL6978862 0.78 HTR6 (0.36) MAPTALDH1A1MEN1KMT2A
SCHEMBL6962516 0.78 MAPT (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6970702 0.77 HTR6 (0.47) AKR1C3AKR1C2PTGDR2MAPTALDH1A1
SCHEMBL6975027 0.77 HTR6 (0.45) AKR1C3AKR1C2MAPTALDH1A1CA12
SCHEMBL6973904 0.76 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2A

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