Sugi Predict

Sugi Predict / Compounds / SCHEMBL16424973

SCHEMBL16424973

SCHEMBL16424973

c1ccc(-n2ncc3c2ccc2c4cc(-c5cccc6c5c5ccc7c(cnn7-c7cccc8ccccc78)c5n6-c5ccc6ccccc6c5)ccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NR3C1 P04150 4/20 0.31
▸ PGR P06401 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16425013 0.84 CYP17A1 (0.41) CYP17A1CYP1A2NR3C1PGRNPC1
SCHEMBL16425024 0.81 CYP17A1 (0.36) CYP17A1CYP1A2NR3C1PGRNPC1
SCHEMBL25474001 0.79 KDM4E (0.44) —
SCHEMBL25474003 0.79 KDM4E (0.44) —
SCHEMBL20149470 0.79 KDM4E (0.44) NPC1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL20821621 0.79 KDM4E (0.44) NPC1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL16424918 0.79 CYP17A1 (0.39) CYP17A1CYP1A2NR3C1PGRNPC1
SCHEMBL16425036 0.79 NR3C1 (0.36) CYP17A1CYP1A2NR3C1PGR
SCHEMBL25671828 0.79 KDM4E (0.41) —
SCHEMBL19653130 0.79 KDM4E (0.41) —

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-2015012528-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2015-01-29 — — WO disclosed
Send feedback