SCHEMBL18088741

SCHEMBL18088741

Cc1cc(CO)ccc1NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ ADRA2C P18825 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NR3C1 P04150 1/20 0.41

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
SCHEMBL2760277 0.84 MAPT (0.55) ADRA2AADRA2BADRA2CADRA1ANPC1
SCHEMBL1660192 0.83 MAPT (0.43) ADRA2AADRA2BADRA2CADRA1ANPC1
SCHEMBL12678530 0.81 ATM (0.57) ADRA2AADRA2BADRA2CADRA1ANPC1
Hydrochloric Acid SCHEMBL2002633 0.81 MAPT (0.43) ADRA2AADRA2BADRA2CADRA1ANPC1
SCHEMBL5761857 0.81 PTGES2 (0.45) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL4303130 0.81 NPC1 (0.43) ADRA2AADRA2BADRA2CADRA1ANPC1
SCHEMBL4304097 0.80 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL1377373 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1HPGD
Acetic Acid SCHEMBL4593833 0.80 KDM4E (0.46) ADRA2AADRA2BADRA2CADRA1ANPC1
SCHEMBL8632112 0.79 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1A

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
WO-2016148145-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND 大正製薬株式会社 2016-09-22 — — WO disclosed
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