SCHEMBL12755000

SCHEMBL12755000

CCCCOC(=O)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C)cc3O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.52
ESR1 P03372 5/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PDE4D Q08499 1/20 0.48
CNR1 P21554 2/20 0.47
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GBA1 P04062 1/20 0.44
STS P08842 2/20 0.44

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
SCHEMBL12755002 0.96 CNR2 (0.56) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL9608472 0.95 MAPT (0.48) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL9608474 0.91 MAPT (0.49) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL12754997 0.90 NPC1 (0.54) ESR1LMNASMN1; SMN2MAPK1NPC1
SCHEMBL12228396 0.88 LMNA (0.51) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL12996835 0.87 CNR2 (0.58) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL9608406 0.86 ESR1 (0.56) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL31195650 0.86 CNR2 (0.62) CNR2ESR1LMNATSHRCNR1
SCHEMBL12228394 0.85 CNR2 (0.54) CNR2ESR1LMNACYP1A2TSHR
SCHEMBL12755011 0.85 PRSS1 (0.45) CNR2LMNATSHRSMN1; SMN2MAPK1

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
US-20110077330-A1 POLYCARBONATE RESIN COMPOSITION CONTAINING TRIAZINE COMPOUND AND MOLDED ARTICLE USING THE SAME FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed