SCHEMBL7646969

SCHEMBL7646969

[CH2]Cc1c(Oc2ccccc2)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KCNA3 P22001 1/20 0.41
HSD17B10 Q99714 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DPP4 P27487 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL7649377 0.86 MAPT (0.41) MAPTKCNA3HSD17B10KMT2AKDM4E
SCHEMBL7652659 0.83 NCEH1 (0.43) MAPTKCNA3KMT2APOLBNCEH1
SCHEMBL7652685 0.82 NCEH1 (0.42) MAPTKCNA3KMT2APOLBNCEH1
SCHEMBL31573993 0.82 L3MBTL1 (0.50) MAPTKCNA3HSD17B10KMT2AKDM4E
SCHEMBL10473118 0.82 MAPT (0.53) MAPTKCNA3HSD17B10KMT2AKDM4E
SCHEMBL7652086 0.81 NCEH1 (0.41) MAPTKCNA3KMT2APOLBNCEH1
SCHEMBL25969601 0.79 MAPT (0.61) MAPTKCNA3HSD17B10KMT2AKDM4E
SCHEMBL7654717 0.78 MAPT (0.46) MAPTKCNA3HSD17B10KMT2AKDM4E
SCHEMBL1052575 0.76 MAPT (0.52) MAPTKCNA3HSD17B10KMT2AKDM4E
SCHEMBL9319668 0.74 PTPN22 (0.50) MAPTHSD17B10CYP1A2CYP2C9CYP2C19

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