SCHEMBL14733139

SCHEMBL14733139

C1=CC(c2cc(-c3ccccc3)cc(-c3ncc(-c4cccc5c4sc4ccccc45)cn3)c2)=CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ PRKDC P78527 2/20 0.32
▸ DNPH1 O43598 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 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
SCHEMBL12996574 0.86 ALOX5 (0.50) ALOX5NPC1NFKB1RAB9ANFKB2
SCHEMBL12996577 0.80 ALOX5 (0.48) ALOX5NPC1NFKB1RAB9ANFKB2
SCHEMBL21319082 0.80 ALOX5 (0.43) ALOX5LIMK1PRKDCDNPH1PARP14
SCHEMBL30119932 0.78 ALOX5 (0.55) ALOX5NPC1NFKB1RAB9ANFKB2
SCHEMBL14718477 0.78 ALOX5 (0.55) ALOX5NPC1NFKB1RAB9ANFKB2
SCHEMBL10071933 0.78 ALOX5 (0.41) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL26710778 0.77 ALOX5 (0.40) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL27427184 0.76 ALOX5 (0.44) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL26358549 0.75 ALOX5 (0.41) ALOX5PRKDCDNPH1PARP14
SCHEMBL17212643 0.75 ALOX5 (0.50) ALOX5NPC1NFKB1RAB9ANFKB2

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-2013027846-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND NOVEL ORGANIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-02-28 — — WO disclosed
Send feedback