SCHEMBL28068053

SCHEMBL28068053

O=Cc1c[nH]c2cc(S(=O)(=O)c3cccnc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
HASPIN Q8TF76 1/20 0.49
TDO2 P48775 4/20 0.47
IDO1 P14902 1/20 0.47
CYP2A6 P11509 2/20 0.46
IMPDH2 P12268 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 3/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
NAMPT P43490 1/20 0.40
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL28068102 0.77 HTR6 (0.45) CYP2A6IMPDH2ALDH1A1KDM4EMAPT
SCHEMBL29957979 0.76 CCNT1 (0.57) CCNT1CDK9HASPINTDO2IDO1
SCHEMBL28068101 0.75 NR4A2 (0.56) HTR6NAMPT
SCHEMBL2535321 0.73 ALDH1A1 (0.54) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL31404866 0.71 NAPRT (0.68) CYP2A6ALDH1A1KDM4EKMT2AHTR6
SCHEMBL9232776 0.71 NAPRT (0.68) CYP2A6ALDH1A1KDM4EKMT2AHTR6
SCHEMBL31129989 0.70 CYP2A6 (0.53) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL6015636 0.70 CYP2A6 (0.53) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL29664462 0.70 CCNT1 (0.62) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL2268299 0.70 CCNT1 (0.62) CCNT1CDK9HASPINCYP2A6IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105612150-B Sulfonylindole derivatives and process for producing the same 株式会社大熊制药 2018-04-10 CN claimed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN claimed
CN-105612150-B Sulfonylindole derivatives and process for producing the same 株式会社大熊制药 2018-04-10 CN disclosed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN disclosed