SCHEMBL16631097

SCHEMBL16631097

c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
OPRK1 P41145 1/20 0.32
PGR P06401 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL17126435 0.95 PLA2G2A (0.33) KMT2AKDM4EMAPTMEN1SMN1; SMN2
SCHEMBL26154331 0.94 NPC1 (0.30) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL17126378 0.94 KMT2A (0.32) KMT2AKDM4EMAPTMEN1SMN1; SMN2
SCHEMBL16631184 0.94 HCRTR1 (0.32) KMT2AKDM4EMAPTMEN1SMN1; SMN2
SCHEMBL18118704 0.93 PGR (0.31) KMT2APGRNPC1RAB9APLA2G2A
SCHEMBL18326068 0.91 PLA2G2A (0.31) PLA2G2APLA2G4AHSP90AA1HSP90AB1
SCHEMBL16996013 0.90 PLA2G2A (0.32) PGRNPC1RAB9APLA2G2APLA2G4A
SCHEMBL31504699 0.90 NPC1 (0.31) PGRNPC1RAB9ACYP1A2CYP2C9
SCHEMBL18326189 0.90 PLA2G2A (0.32) PGRPLA2G2APLA2G4ACASP3SENP7
SCHEMBL20348983 0.90 KDM4E (0.32) KMT2AKDM4EMAPTMEN1SMN1; SMN2

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
WO-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed