SCHEMBL10582607

SCHEMBL10582607

COc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccc(Cl)c(Cl)c3)c2)cc1.COc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccc(Cl)c(Cl)c3)c2)cc1.[O-]B([O-])F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ RAD51 Q06609 1/20 0.37
▸ ERCC5 P28715 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ NPBWR1 P48145 2/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ BCL2L1 Q07817 2/20 0.35
▸ MCL1 Q07820 2/20 0.35

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
SCHEMBL10871524 0.92 ABL1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL10582611 0.91 ABL1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMITF
Perchlorate SCHEMBL9179005 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL11045690 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL10600119 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL10601743 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL11050455 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL7913407 0.81 ABL1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL6686384 0.81 ABL1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL6685513 0.81 ABL1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMITF

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
EP-0176777-B1 LIGHT CURABLE DENTAL COMPOSITION NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-11-23 — — EP disclosed
US-4824876-A ORGANIC PEROXIDE, PYRYLIUM SALT INIATOR NIPPON OIL AND FATS CO., LTD. (JP) 1989-04-25 — — US disclosed
US-4746685-A METHACRYLATE COMPOUND WITH AN ORGANIC PEROXIDE AND PYRYCIUM SALT AS A LIGHT POLYMERIZATION NIPPON OIL AND FATS CO., LTD. (JP) 1988-05-24 — — US disclosed
US-4474868-A ORGANIC PEROXIDE AND COMPOUND CONTAINING CATIONIC OXYGEN, SULFUR OXYGEN,SULFUR OR SELENIUM NIPPON OIL AND FATS CO., LTD. (JP) 1984-10-02 — — US disclosed
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