SCHEMBL18623558

SCHEMBL18623558

c1ccc2cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PRKDC P78527 2/20 0.38
S1PR5 Q9H228 11/20 0.35
S1PR4 O95977 8/20 0.35
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP14 Q460N5 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL18623562 1.00 ALOX5 (0.45) ALOX5PRKDCS1PR5S1PR4F2
SCHEMBL18623560 0.97 ALOX5 (0.44) ALOX5PRKDCS1PR5S1PR4F2
SCHEMBL18623556 0.97 ALOX5 (0.44) ALOX5PRKDCS1PR5S1PR4F2
SCHEMBL23625203 0.96 ALOX5 (0.42) ALOX5PRKDCS1PR5S1PR4F2
SCHEMBL18804966 0.95 ALOX5 (0.42) ALOX5PRKDCS1PR5S1PR4F2
SCHEMBL18804957 0.95 ALOX5 (0.42) ALOX5PRKDCS1PR5S1PR4F2
SCHEMBL18779537 0.95 ALOX5 (0.46) ALOX5PRKDCS1PR5S1PR4KDM4E
SCHEMBL17661333 0.95 ALOX5 (0.46) ALOX5PRKDCS1PR5S1PR4KDM4E
SCHEMBL23625242 0.94 ALOX5 (0.40) ALOX5PRKDCS1PR5S1PR4PMM2
SCHEMBL780750 0.93 ALOX5 (0.44) ALOX5PRKDCS1PR5S1PR4KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170207396-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-07-20 US disclosed
US-20170207396-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-07-20 US disclosed
US-20170077423-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-16 US disclosed
US-20170077423-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-16 US disclosed