SCHEMBL7652086

SCHEMBL7652086

[CH2]CCCCCc1c(Oc2ccccc2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.41
KCNA3 P22001 1/20 0.39
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC2A1 P11166 1/20 0.34

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
SCHEMBL7652685 0.98 NCEH1 (0.42) NCEH1KCNA3MAPTPOLBKMT2A
SCHEMBL7652659 0.94 NCEH1 (0.43) NCEH1KCNA3MAPTPOLBKMT2A
SCHEMBL7649377 0.88 MAPT (0.41) NCEH1KCNA3MAPTPOLBKMT2A
SCHEMBL7646969 0.81 MAPT (0.43) NCEH1KCNA3MAPTPOLBKMT2A
SCHEMBL7654241 0.78 HRH1 (0.38) SLC6A4SLC2A1
SCHEMBL7655585 0.76 TSHR (0.46) NCEH1MAPTKMT2ASLC6A4SLC2A1
SCHEMBL7654701 0.76 MCL1 (0.37) NCEH1MAPTKMT2A
SCHEMBL7649179 0.76 HRH1 (0.39) SLC6A4SLC2A1
SCHEMBL7694803 0.75 NCEH1 (0.45) NCEH1MAPTPOLBKMT2ASLC6A4
SCHEMBL8052307 0.75 NCEH1 (0.58) NCEH1MAPTKMT2A

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