SCHEMBL20079932

SCHEMBL20079932

c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6oc7cc(-c8ccc9c%10ccccc%10c%10cc(N(c%11ccc(-c%12ccc%13oc%14ccccc%14c%13c%12)cc%11)c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)ccc%10c9c8)ccc7c6c5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 4/20 0.43
▸ ALOX5 P09917 2/20 0.41
▸ PIK3CD O00329 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ AHR P35869 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL16883153 0.98 ALOX5 (0.43) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL17370009 0.94 ALOX5 (0.40) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL23328514 0.93 ALOX5 (0.47) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL17126815 0.93 ALOX5 (0.47) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL23328454 0.92 ALOX5 (0.48) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL23328906 0.92 ALOX5 (0.48) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL24684594 0.91 PRKDC (0.42) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL17370072 0.91 ALOX5 (0.42) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL17153479 0.91 ALOX5 (0.44) PRKDCALOX5PIK3CDBRD4PIK3CA
SCHEMBL15964421 0.91 ALOX5 (0.45) PRKDCALOX5PIK3CDBRD4PIK3CA

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
EP-3312167-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME Idemitsu Kosan Co., Ltd. (JP) 2018-04-25 — — EP disclosed
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