SCHEMBL27637218

SCHEMBL27637218

C=CC(=O)Oc1c(O)c(C)c(N=Nc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTPRA P18433 1/20 0.39
▸ PTPRB P23467 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ SENP1 Q9P0U3 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL27637217 0.83 CYP1A2 (0.37) CYP1A2HIF1ACYP2C9HSD17B10TSHR
SCHEMBL7179903 0.80 CYP1A2 (0.48) CYP1A2HIF1ACYP2C9HSD17B10TSHR
SCHEMBL7179907 0.80 CYP1A2 (0.48) CYP1A2HIF1ACYP2C9HSD17B10TSHR
SCHEMBL27618018 0.74 THRB (0.39) ALDH1A1MAPK1NPC1MEN1KMT2A
SCHEMBL27618002 0.74 THRB (0.41) CYP1A2HIF1ACYP2C9HSD17B10TSHR
SCHEMBL7178612 0.73 CYP1A2 (0.42) CYP1A2HIF1ACYP2C9HSD17B10TSHR
SCHEMBL27947715 0.70 TSHR (0.43) CYP1A2HSD17B10TSHRALDH1A1MAPK1
SCHEMBL13609825 0.69 CYP1A2 (0.43) CYP1A2HIF1ACYP2C9HSD17B10TSHR
Hydrogen Sulfide SCHEMBL28837728 0.69 TSHR (0.42) CYP1A2HSD17B10TSHRALDH1A1MAPK1
SCHEMBL15302145 0.68 TYMS (0.43) CYP1A2CYP2C9HSD17B10ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104284942-A Stable polymerizable UV-absorbing colorant for intraocular lens KOWA CO 2015-01-14 — — CN disclosed
CN-1894620-B Contact lens material MENICON CO LTD 2012-09-26 — — CN disclosed
CN-100529842-C Highly safe silicone-containing material for ocular lens and process for producing the same MENICON CO LTD (JP) 2009-08-19 — — CN disclosed
CN-1894620-A Contact lens material MENICON CO LTD (JP) 2007-01-10 — — CN disclosed
CN-1723411-A High-safety ophthalmic lens material containing silicone and method for producing same MENICON CO LTD (JP) 2006-01-18 — — CN disclosed
Send feedback