SCHEMBL3957922

SCHEMBL3957922

CCC(=O)ON(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
LIN28A Q9H9Z2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
TSHR P16473 1/20 0.45
KCNA5 P22460 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HIF1A Q16665 1/20 0.41
PTPRA P18433 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17350556 0.84 SMN1; SMN2 (0.49) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL27666794 0.76 HRH1 (0.40) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL12204158 0.76 TRPM8 (0.60) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL30753585 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1CYP1A2TSHR
SCHEMBL12320823 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1CYP1A2TSHR
SCHEMBL3938108 0.76 KDM4E (0.41) TRPM8TDP1ALDH1A1TSHRKMT2A
SCHEMBL29088338 0.75 LMNA (0.49) TRPM8SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL4015323 0.74 L3MBTL1 (0.41) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL19889221 0.74 TDP1 (0.57) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL12313339 0.74 NTRK1 (0.51) TRPM8SMN1; SMN2MAPTLIN28ATDP1

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
EP-1713515-A4 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2009-07-22 EP disclosed
EP-1713515-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
WO-2005079865-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS (US) 2005-09-01 WO disclosed