SCHEMBL18658488

SCHEMBL18658488

Cc1cc(C)c(N2C=CN(C3CCCCC3)C=C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.33
PSMB5 P28074 1/20 0.33
PHGDH O43175 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL19316186 1.00 EBP (0.37) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL19316156 1.00 EBP (0.37) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL21417972 0.98 EBP (0.35) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL18658483 0.80 ALDH1A1 (0.33) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL18658536 0.70 TAS1R3 (0.34) ALDH1A1TSHRMEN1KMT2ATAS1R3
SCHEMBL17222819 0.70 ALDH1A1 (0.36) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL17222815 0.70 ALDH1A1 (0.36) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL16341302 0.70 ALDH1A1 (0.36) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL17222809 0.70 ALDH1A1 (0.36) EBPDHCR7ALDH1A1TSHRMEN1
SCHEMBL1243407 0.70 ALDH1A1 (0.45) EBPDHCR7ALDH1A1POLBHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931736-B1 RUTHENIUM COMPLEXES COMPRISING AN ASYMMETRICAL UNSATURATED N-HETEROCYCLIC DIAMINOCARBENE ECOLE NAT SUPÉRIEURE DE CHIMIE DE RENNES (FR) 2017-03-22 EP disclosed