SCHEMBL13635784

SCHEMBL13635784

CCC/C=C\CCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.56
QPCT Q16769 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PRKCI P41743 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3310813 0.89 TBXAS1 (0.52) TBXAS1QPCTEGLN3KDM4EALDH1A1
SCHEMBL2945279 0.89 TBXAS1 (0.52) TBXAS1QPCTEGLN3KDM4EALDH1A1
SCHEMBL2945280 0.89 TBXAS1 (0.52) TBXAS1QPCTEGLN3KDM4EALDH1A1
SCHEMBL28237329 0.87 TBXAS1 (0.66) TBXAS1QPCTKDM4EPRKCILMNA
SCHEMBL28674138 0.86 TBXAS1 (0.69) TBXAS1QPCTKDM4ELMNA
SCHEMBL13639840 0.82 TBXAS1 (0.52) TBXAS1EGLN3KDM4EALDH1A1PRKCI
SCHEMBL152066 0.79
SCHEMBL9735792 0.79 TBXAS1 (0.80) TBXAS1QPCTKDM4ELMNA
SCHEMBL4342269 0.79 TBXAS1 (0.80) TBXAS1QPCTKDM4ELMNA
SCHEMBL8690311 0.78 TBXAS1 (0.62) TBXAS1QPCTEGLN3KDM4EPRKCI

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-2044169-B1 USE OF PT- AND PD-BIS- AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS BASF SE (DE) 2009-11-25 EP disclosed