SCHEMBL18801433

SCHEMBL18801433

Cc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
NTSR1 P30989 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL19595962 1.00 HPRT1 (0.41) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL18594095 0.98 HPRT1 (0.41) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL16343993 0.98 HPRT1 (0.41) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL21508946 0.98 HPRT1 (0.41) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL17995968 0.97 HPRT1 (0.41) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL7906917 0.96 CYP2C19 (0.39) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL15038402 0.95 HPRT1 (0.41) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL27482426 0.95 NPC1 (0.38) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL7757061 0.95 CYP2C19 (0.40) HPRT1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL31191915 0.93 RAB9A (0.39) HPRT1NPC1RAB9ATDP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244463-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2020-07-22 EP disclosed
EP-3163644-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-05-03 EP disclosed