SCHEMBL4793133

SCHEMBL4793133

CC(C)(C)CS(=O)(=O)c1ncccc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CCR9 P51686 1/20 0.37
DPP4 P27487 1/20 0.36
COMT P21964 1/20 0.35
LOXL2 Q9Y4K0 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX7 Q99572 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL7533479 0.86 DPP4 (0.36) KMT2ACCR9DPP4LOXL2MMP2
SCHEMBL7418680 0.85 KMT2A (0.41) KMT2ACCR9DPP4COMTLOXL2
SCHEMBL7416794 0.81 LOXL2 (0.42) KMT2ACCR9DPP4COMTLOXL2
SCHEMBL7416470 0.80 KMT2A (0.42) KMT2ACCR9DPP4LOXL2P2RX7
SCHEMBL17372075 0.78 DPP4 (0.41) KMT2ADPP4LOXL2CA1CA2
SCHEMBL4793708 0.77 CCR9 (0.35) KMT2ACCR9DPP4COMTLOXL2
SCHEMBL7423716 0.75 DPP4 (0.37) KMT2ACCR9DPP4LOXL2ALDH1A1
SCHEMBL7417140 0.74 FEN1 (0.43) KMT2ADPP4COMTLOXL2ALOX5AP
SCHEMBL18283289 0.71 COMT (0.41) KMT2ACOMTALDH1A1RAB9ANPSR1
SCHEMBL7533483 0.70 DPP4 (0.36) KMT2ADPP4LOXL2RAB9AKDM4E

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
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed