SCHEMBL5493487

SCHEMBL5493487

COC(=O)[C@H]1CSCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL2675696 1.00 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4571091 1.00 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2675695 0.98 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5362921 0.98 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5224314 0.82
SCHEMBL3361966 0.82
SCHEMBL11122946 0.82
Hydrochloric Acid SCHEMBL201248 0.80 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL201249 0.80 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7350919 0.80 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
EP-1789404-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-05-30 EP disclosed
WO-2006004880-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-01-12 WO disclosed