SCHEMBL18821313

SCHEMBL18821313

N=C(N)c1ccc2ccccc2c1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.43
▸ WDR5 P61964 2/20 0.42
▸ ALOX5 P09917 2/20 0.40
▸ F2 P00734 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ KLK1 P06870 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ SOS1 Q07889 1/20 0.39
▸ PLAT P00750 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ F9 P00740 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL18821319 0.94 HPRT1 (0.41) HPRT1WDR5ALOX5F2PLG
SCHEMBL6956573 0.83 WDR5 (0.52) HPRT1WDR5F2PLGPLAU
SCHEMBL18821315 0.79 HSD17B1 (0.39) HPRT1WDR5ALOX5SOS1ALDH1A1
SCHEMBL22639444 0.76 ALOX5 (0.58) HPRT1ALOX5MEN1MAPTKMT2A
SCHEMBL20404983 0.76 HPRT1 (0.48) HPRT1ALOX5ALDH1A1MAPTKMT2A
SCHEMBL20407045 0.75 ESR1 (0.36) HPRT1WDR5ALOX5F2PLG
SCHEMBL15366577 0.73 ALOX5 (0.62) HPRT1ALOX5SOS1ALDH1A1MEN1
SCHEMBL29637485 0.73 HPRT1 (0.46) HPRT1WDR5ALOX5SOS1ALDH1A1
SCHEMBL19336403 0.70 HPRT1 (0.67) HPRT1ALDH1A1MAPTHSD17B10CYP2A6
SCHEMBL22639413 0.70 ESR1 (0.64) HPRT1ALOX5

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-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
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