SCHEMBL6959899

SCHEMBL6959899

N#Cc1c[c]c(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HTR6 P50406 1/20 0.42
TSHR P16473 1/20 0.38
CTSG P08311 2/20 0.37
CMA1 P23946 2/20 0.37
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP19A1 P11511 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
AR P10275 1/20 0.35
POLB P06746 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
SCHEMBL161783 0.76 HTR6 (0.61) MAPTHTR6TSHRCTSGCMA1
SCHEMBL6958683 0.75 PTGS2 (0.39) MAPTALDH1A1CYP19A1CA12CA1
SCHEMBL4638794 0.70 HSD11B1 (0.44) MAPTHTR6TSHRALDH1A1MEN1
SCHEMBL6966187 0.69 AGTR1 (0.51) MAPTHTR6ALDH1A1MEN1KMT2A
SCHEMBL315684 0.69 HTR6 (0.54) HTR6TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL27910606 0.68 HTR6 (0.54) MAPTHTR6TSHRCTSGCMA1
SCHEMBL7672297 0.68 HTR6 (0.48) MAPTHTR6TSHRALDH1A1KMT2A
SCHEMBL8514633 0.67 CA2 (0.59) MAPTHTR6TSHRALDH1A1CYP3A4
(Phenylsulfonyl)Benzene SCHEMBL1549229 0.66 HTR6 (0.93) MAPTHTR6TSHRALDH1A1SMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL5537560 0.66 HTR6 (0.93) MAPTHTR6TSHRALDH1A1SMN1; SMN2

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed