SCHEMBL23867337

SCHEMBL23867337

c1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR4 O95977 2/20 0.31
S1PR5 Q9H228 2/20 0.31
ESR2 Q92731 1/20 0.31
PRKDC P78527 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL23180062 0.98 PLA2G2A (0.32) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23180829 0.98 PLA2G2A (0.32) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22255537 0.96 ALOX5 (0.33) ALOX5ESR2PRKDC
SCHEMBL22255642 0.95 ALOX5 (0.32) ALOX5ESR2
SCHEMBL24919483 0.93 ALOX5 (0.32) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23867445 0.93 ALOX5 (0.32) ALOX5ESR2
SCHEMBL23233269 0.92 ALOX5 (0.37) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23233267 0.92 ALOX5 (0.37) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24918596 0.92
SCHEMBL23867306 0.91 ALOX5 (0.34) ALOX5ESR2PRKDC

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-20210305509-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-30 US disclosed