Sugi Predict

Sugi Predict / Compounds / SCHEMBL16159587

SCHEMBL16159587

SCHEMBL16159587

C1=COC(c2cncc(-c3c4ccccc4c(-c4cncc(-c5ncco5)c4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc34)c2)N1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ALK Q9UM73 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
SCHEMBL16159169 0.97 KDM4E (0.32) CCNCCDK8KDM4EALDH1A1MAPT
SCHEMBL16159585 0.92 MCL1 (0.35) CCNCCDK8MCL1
SCHEMBL16159550 0.91 MCL1 (0.35) CCNCCDK8MCL1
SCHEMBL16159231 0.91 MCL1 (0.35) CCNCCDK8MCL1
SCHEMBL16159211 0.90 HPGDS (0.33) CCNCCDK8MCL1
SCHEMBL16159210 0.90 CCNC (0.32) CCNCCDK8RAB9AMCL1
SCHEMBL16159551 0.90 MCL1 (0.35) CCNCCDK8MCL1
SCHEMBL16159449 0.89 ALK (0.32) CCNCCDK8MCL1ALK
SCHEMBL16159158 0.87 HPGDS (0.34) —
SCHEMBL17704365 0.86 CCNC (0.42) CCNCCDK8KDM4EALDH1A1MAPT

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-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 — — WO disclosed