SCHEMBL22435705

SCHEMBL22435705

c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3ccccc34)c(-c3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
F9 P00740 1/20 0.38
PRKDC P78527 1/20 0.34
LIMK1 P53667 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP14 Q460N5 1/20 0.31
GPR3 P46089 1/20 0.31
SLC9A1 P19634 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
SCHEMBL22435646 0.94 ALOX5 (0.38) ALOX5F9PRKDCLIMK1ALDH1A1
SCHEMBL22435644 0.93 ALOX5 (0.38) ALOX5F9PRKDCLIMK1ALDH1A1
SCHEMBL22435652 0.92 ALOX5 (0.45) ALOX5F9PRKDCLIMK1TNKS
SCHEMBL22435710 0.90 ALDH1A1 (0.39) ALOX5F9LIMK1ALDH1A1MAPT
SCHEMBL21966642 0.89 F9 (0.39) ALOX5F9PRKDCLIMK1ALDH1A1
SCHEMBL22435650 0.89 ALOX5 (0.39) ALOX5F9PRKDCTNKSTNKS2
SCHEMBL22435656 0.88 ALOX5 (0.41) ALOX5F9PRKDCLIMK1TNKS
SCHEMBL22435653 0.88 ALOX5 (0.41) ALOX5F9PRKDCLIMK1TNKS
SCHEMBL22435665 0.87 ALOX5 (0.41) ALOX5F9PRKDCLIMK1ALDH1A1
SCHEMBL22435657 0.87 ALDH1A1 (0.37) ALOX5F9LIMK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020185054-A9 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed
WO-2020185054-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-09-17 WO disclosed