SCHEMBL6968042

SCHEMBL6968042

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR6 P50406 4/20 0.42
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
TP53 P04637 1/20 0.39
PRKDC P78527 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR6 P51684 1/20 0.37
ADAM17 P78536 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL6962516 0.89 MAPT (0.45) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6975027 0.88 HTR6 (0.45) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6971590 0.88 AKR1C3 (0.38) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6969933 0.86 ALDH1A1 (0.45) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6976503 0.86 MAPT (0.41) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6967847 0.86 ALDH1A1 (0.45) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6968667 0.84 HTR6 (0.48) KMT2AMAPTALDH1A1MEN1HTR6
SCHEMBL6970702 0.83 HTR6 (0.47) KMT2AMAPTALDH1A1MEN1HTR6
SCHEMBL6971803 0.82 HTR6 (0.41) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6967417 0.82 HTR6 (0.41) KMT2AMAPTALDH1A1MEN1KDM4E

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