SCHEMBL7679328

SCHEMBL7679328

CC(c1ccccc1)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HTR2C P28335 1/20 0.36
DAO P14920 1/20 0.36
COMT P21964 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TYR P14679 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
ATM Q13315 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL11531757 0.79 KMT2A (0.35) KMT2AKDM4EALDH1A1HTR2AATM
SCHEMBL10969072 0.78 TSHR (0.34) KMT2AKDM4EMEN1LMNACASP1
SCHEMBL7819515 0.77 HTR2A (0.39) COMTKDM4ELMNAHTR2AHRH1
SCHEMBL7823808 0.77 KDM4E (0.39) KDM4EALDH1A1LMNA
SCHEMBL8090075 0.76 TSHR (0.39) KMT2AKDM4EALDH1A1ATM
SCHEMBL9384051 0.76 DPP4 (0.39) KMT2AATM
SCHEMBL8090152 0.76 KMT2A (0.33) KMT2AKDM4EALDH1A1ATM
SCHEMBL9090443 0.76 SMN1; SMN2 (0.46) KDM4EALDH1A1LMNAAOC3
SCHEMBL9090435 0.76 CES2 (0.33) KMT2AKDM4EALDH1A1LMNAATM
Hydrochloric Acid SCHEMBL9985742 0.74 DPP4 (0.38) KMT2AALDH1A1ATM

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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed