SCHEMBL7204490

SCHEMBL7204490

[CH]1CCN(Cc2ccncc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
LSS P48449 1/20 0.46
CYP2D6 P10635 5/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL1429999 0.89 HRH3 (0.49) HPGDLSSCYP2D6TDP1L3MBTL1
SCHEMBL3552213 0.88 LSS (0.53) HPGDLSSCYP2D6TDP1L3MBTL1
SCHEMBL28277353 0.83 MAOA (0.46) HPGDLSSCYP2D6TDP1L3MBTL1
SCHEMBL159371 0.80 SIGMAR1 (0.61) CYP3A4ALDH1A1KMT2AKDM4EPOLB
SCHEMBL28269086 0.79 LSS (0.66) HPGDLSSCYP2D6TDP1L3MBTL1
SCHEMBL6396594 0.79 CHRNB2 (0.65) TDP1ALDH1A1CASP1CASP4CASP5
SCHEMBL15309150 0.78 KDM4E (0.64) L3MBTL1ALDH1A1HIF1ACASP1CASP4
SCHEMBL3333802 0.77 MAOA (0.49) TDP1ALDH1A1KDM4EPOLB
SCHEMBL27696243 0.77 ALDH1A1 (0.56) TDP1L3MBTL1HRH3ALDH1A1MEN1
SCHEMBL29101920 0.77 ALDH1A1 (0.55) HPGDCYP2D6HRH3CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed