SCHEMBL28048863

SCHEMBL28048863

O=C1c2ccc(-c3c4ccccc4cc4ccccc34)cc2C(=O)c2ccc(-c3c4ccccc4cc4ccccc34)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.53
▸ DNMT1 P26358 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ PTPRC P08575 4/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SOS1 Q07889 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ GPR84 Q9NQS5 7/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL13846237 0.81 NPC1 (0.56) DNMT1PTPRCPTPN1TSHRCYP1A2
SCHEMBL12553064 0.81 NPC1 (0.60) DNMT1CES1PTPRCPTPN1TSHR
SCHEMBL19678608 0.80 NPC1 (0.59) DNMT1CES1PTPRCPTPN1TSHR
SCHEMBL2086646 0.79 ALOX5 (0.55) ALOX5CES1GPR84MEN1KMT2A
SCHEMBL29682050 0.79 ALOX5 (0.55) ALOX5CES1GPR84MEN1KMT2A
SCHEMBL28048862 0.79 PTPRC (0.49) DNMT1CES1PTPRCPTPN1TSHR
SCHEMBL10122833 0.78 PTPRC (0.49) ALOX5DNMT1CES1PTPRCPTPN1
SCHEMBL1820911 0.78 EDNRB (0.57) DNMT1PTPRCPTPN1TSHRMEN1
SCHEMBL30819040 0.78 EDNRB (0.57) DNMT1PTPRCPTPN1TSHRMEN1
SCHEMBL4264669 0.78 EDNRB (0.57) DNMT1PTPRCPTPN1TSHRMEN1

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
CN-102795983-B Anthraquinone derivative material and its preparation method and application Haiyangwang Lighting Technology Co., Ltd. (CN) 2016-01-20 — — CN disclosed
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