SCHEMBL27854960

SCHEMBL27854960

NN(C(=O)C1CCCN(CC(=O)c2cccs2)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 3/20 0.47
CASP1 P29466 1/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL287364 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ECASP1CYP1A2CYP2D6
SCHEMBL27854946 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ECASP1CYP1A2CYP2D6
SCHEMBL287351 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ECASP1CYP1A2CYP2D6
SCHEMBL27871680 0.69 ALDH1A1 (0.39) ALDH1A1KDM4ECASP1KMT2AMAPT
SCHEMBL8247021 0.65 KMT2A (0.62) ALDH1A1CYP1A2CYP2D6KMT2ALMNA
SCHEMBL287300 0.63 ALDH1A1 (0.48) ALDH1A1KDM4ECASP1KMT2AMAPT
SCHEMBL7357067 0.63 SLC6A1 (0.69) ALDH1A1CYP1A2CYP2D6LMNATSHR
SCHEMBL5164434 0.62 SLC6A1 (0.78) ALDH1A1CYP1A2CYP2D6LMNATSHR
SCHEMBL10968404 0.62 SLC6A1 (0.78) ALDH1A1CYP1A2CYP2D6LMNATSHR
SCHEMBL5164435 0.62 SLC6A1 (0.78) ALDH1A1CYP1A2CYP2D6LMNATSHR

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-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed