SCHEMBL13815109

SCHEMBL13815109

CCN(CC)c1ccc2c(-c3ccccc3C(=O)Oc3ccc4c(C)cc(=O)oc4c3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ ALDH1A1 P00352 9/20 0.47
▸ GLA P06280 7/20 0.47
▸ HPGD P15428 6/20 0.47
▸ IGLV6-57 P01721 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL29489508 0.99 KMT2A (0.49) KMT2AMEN1USP2POLBPPARG
SCHEMBL10298327 0.85 USP2 (0.58) KMT2AMEN1USP2POLBPPARG
SCHEMBL22903504 0.85 USP2 (0.51) KMT2AMEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL23064866 0.84 USP2 (0.57) KMT2AMEN1USP2POLBPPARG
SCHEMBL9007850 0.84 USP2 (0.59) KMT2AMEN1USP2POLBPPARG
SCHEMBL13033323 0.83 USP2 (0.58) KMT2AMEN1USP2POLBPPARG
SCHEMBL14393084 0.83 USP2 (0.58) KMT2AMEN1USP2POLBPPARG
SCHEMBL22292200 0.82 USP2 (0.55) KMT2AMEN1USP2POLBPPARG
Perchlorate SCHEMBL9638625 0.82 USP2 (0.57) KMT2AMEN1USP2POLBPPARG
SCHEMBL10123979 0.82 USP2 (0.58) KMT2AMEN1USP2POLBPPARG

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
US-7544454-B2 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2009-06-09 — — US disclosed
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