SCHEMBL11021736

SCHEMBL11021736

CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ OGT O15294 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.39
▸ PDE5A O76074 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GUSB P08236 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL11021741 0.92 ATR (0.44) MAPTALDH1A1SMN1; SMN2NPSR1OGT
SCHEMBL11018857 0.89 MAPT (0.44) MAPTALDH1A1PDE5AATRPOLB
SCHEMBL11022213 0.89 ATR (0.44) MAPTTRPV4PDE5AATRGUSB
SCHEMBL11021081 0.88 CA12 (0.43) MAPTTRPV4PDE5AATRGUSB
SCHEMBL11021236 0.86 KDM4E (0.42) MAPTALDH1A1SMN1; SMN2NPSR1OGT
SCHEMBL11022217 0.81 ATR (0.53) MAPTTRPV4ATR
SCHEMBL11018866 0.81 MAPT (0.44) MAPTALDH1A1SMN1; SMN2ATRGAA
SCHEMBL11021552 0.81 L3MBTL1 (0.47) MAPTALDH1A1SMN1; SMN2PDE5APOLB
SCHEMBL11021091 0.80 ATR (0.48) MAPTALDH1A1SMN1; SMN2TRPV4ATR
SCHEMBL10763275 0.80 MAPK10 (0.42) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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