SCHEMBL7654717

SCHEMBL7654717

[CH2]c1c(Oc2ccccc2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.41
KCNA3 P22001 1/20 0.40
HPRT1 P00492 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PGR P06401 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL25969601 0.82 MAPT (0.61) MAPTKMT2AKDM4EGLATSHR
SCHEMBL1052575 0.78 MAPT (0.52) MAPTKMT2AKDM4EGLATSHR
SCHEMBL7646969 0.78 MAPT (0.43) MAPTKMT2AKDM4EGLATSHR
SCHEMBL7654722 0.77 TSHR (0.50) MAPTKMT2AKDM4EGLATSHR
SCHEMBL2242408 0.77 MAPT (0.46) MAPTKMT2AKDM4EGLATSHR
SCHEMBL9319668 0.77 PTPN22 (0.50) MAPTHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL10978313 0.77 NCEH1 (0.50) MAPTKMT2AKDM4EGLATSHR
SCHEMBL25204 0.76 MAPT (0.64) MAPTKMT2AKDM4ETSHRALDH1A1
SCHEMBL28480400 0.76 MAPT (0.53) MAPTKMT2AKDM4EGLATSHR
SCHEMBL441860 0.75 KCNA3 (0.58) MAPTKMT2AKDM4EGLATSHR

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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed