SCHEMBL6685513

SCHEMBL6685513

COc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.55
▸ ABCB1 P08183 2/20 0.55
▸ BCR P11274 2/20 0.55
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ BACE1 P56817 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL30489763 1.00 ABL1 (0.55) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL29968150 1.00 ABL1 (0.55) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL6686384 1.00 ABL1 (0.55) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL7913407 1.00 ABL1 (0.55) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL11045692 0.95 ABL1 (0.50) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL10601690 0.95 ABL1 (0.50) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL11154713 0.95 ABL1 (0.50) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL8744514 0.95 ABL1 (0.50) ABL1ABCB1BCRNPC1RAB9A
Perchlorate SCHEMBL7903126 0.93 NPC1 (0.61) ABL1ABCB1BCRNPC1RAB9A
Perchlorate SCHEMBL9175221 0.93 NPC1 (0.61) ABL1ABCB1BCRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084126-B1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD ROOWIN S A (FR) 2004-11-17 — — EP claimed
US-6365735-B1 ALKALOIDS FORMED BY REDUCTION OR CYANATION ROOWIN S.A. (FR) 2002-04-02 — — US claimed
EP-1084126-A1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD Roowin, S.A. (FR) 2001-03-21 — — EP claimed
WO-1999062912-A1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD ROOWIN S.A. (FR) 1999-12-09 — — WO claimed
EP-0196561-B1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-06-14 — — EP claimed
US-20110318689-A1 LIGHT-SENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2011-12-29 — — US disclosed
EP-1084126-B1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD ROOWIN S A (FR) 2004-11-17 — — EP disclosed
US-6365735-B1 ALKALOIDS FORMED BY REDUCTION OR CYANATION ROOWIN S.A. (FR) 2002-04-02 — — US disclosed
EP-1084126-A1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD Roowin, S.A. (FR) 2001-03-21 — — EP disclosed
WO-1999062912-A1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD ROOWIN S.A. (FR) 1999-12-09 — — WO disclosed
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