SCHEMBL21037619

SCHEMBL21037619

CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc32)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
AVPR1A P37288 1/20 0.30
ALK Q9UM73 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
SCHEMBL21559187 0.99 ALOX5 (0.37) ALOX5PDK2MEN1CYP2C19KMT2A
SCHEMBL25563022 0.97 ALOX5 (0.36) ALOX5PDK2MEN1CYP2C19KMT2A
SCHEMBL21922952 0.96 ALOX5 (0.39) ALOX5PDK2
SCHEMBL16996534 0.95 ALOX5 (0.40) ALOX5PDK2
SCHEMBL22243484 0.95 ALOX5 (0.40) ALOX5PDK2
SCHEMBL24905583 0.94 ALOX5 (0.34) ALOX5ALK
SCHEMBL21559328 0.94 ALOX5 (0.37) ALOX5MEN1CYP2C19KMT2A
SCHEMBL21037613 0.94 ALOX5 (0.34) ALOX5MEN1CYP2C19KMT2AALK
SCHEMBL21559052 0.94 ALOX5 (0.38) ALOX5PDK2MEN1CYP2C19KMT2A
SCHEMBL24904672 0.94 ALOX5 (0.39) ALOX5PDK2

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-2019103397-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-05-31 WO disclosed