Sugi Predict

Sugi Predict / Compounds / SCHEMBL16998980

SCHEMBL16998980

SCHEMBL16998980

N#Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ PDK2 Q15119 3/20 0.35
▸ PRKDC P78527 3/20 0.34
▸ TNKS O95271 1/20 0.34
▸ GGPS1 O95749 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ PGR P06401 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
SCHEMBL16996363 0.94 ALOX5 (0.41) ALOX5PDK2PRKDCTNKSGGPS1
SCHEMBL16998981 0.94 ALOX5 (0.37) ALOX5PDK2PRKDCTNKSGGPS1
SCHEMBL16998977 0.93 ALOX5 (0.38) ALOX5PDK2PRKDCTNKSGGPS1
SCHEMBL9917171 0.92 ALOX5 (0.38) ALOX5PDK2PRKDCTNKSGGPS1
SCHEMBL15290117 0.91 ALOX5 (0.45) ALOX5PDK2PRKDCGGPS1PTGES2
SCHEMBL16996305 0.91 ALOX5 (0.45) ALOX5PDK2PRKDCGGPS1PTGES2
SCHEMBL16996057 0.91 ALOX5 (0.39) ALOX5PDK2PRKDCTNKSGGPS1
SCHEMBL17816848 0.90 ALOX5 (0.44) ALOX5PDK2PRKDCGGPS1PTGES2
SCHEMBL19165452 0.90 ALOX5 (0.44) ALOX5PDK2PRKDCGGPS1PTGES2
SCHEMBL16996443 0.89 ALOX5 (0.44) ALOX5PDK2PRKDCGGPS1PTGES2

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-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 — — US disclosed