SCHEMBL28068102

SCHEMBL28068102

O=Cc1c[nH]c2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.45
CYP2A6 P11509 2/20 0.45
AKR1B1 P15121 1/20 0.43
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 1/20 0.40

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
SCHEMBL28829310 0.82 HTR6 (0.45) HTR6AKR1B1CA1CA2MMP1
SCHEMBL28068118 0.81 HTR6 (0.45) HTR6AKR1B1ALDH1A1CA1CA2
SCHEMBL2533000 0.80 CYP2A6 (0.58) CYP2A6IMPDH2KDM4EALDH1A1MAPT
SCHEMBL29644219 0.80 CYP2A6 (0.58) CYP2A6IMPDH2KDM4EALDH1A1MAPT
SCHEMBL28068053 0.77 CCNT1 (0.49) HTR6CYP2A6IMPDH2KDM4EALDH1A1
SCHEMBL30859041 0.75 CA1 (0.65) HTR6AKR1B1CA1CA2MMP1
SCHEMBL8863056 0.75 CA1 (0.65) HTR6AKR1B1CA1CA2MMP1
Hydrochloric Acid SCHEMBL11261755 0.73 CA1 (0.62) HTR6AKR1B1CA1CA2MMP1
SCHEMBL8685220 0.73 AKR1B1 (0.43) HTR6AKR1B1MAPTCA1CA2
SCHEMBL28207032 0.73 ESR1 (0.54) HTR6AKR1B1CA1CA2MMP1

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
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN claimed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN disclosed