SCHEMBL14338981

SCHEMBL14338981

CCN=c1ccc2c(-c3ccccc3C(=O)OCCCCOC(=O)c3ccccc3-c3c4ccc(=[N+](CC)CC)cc-4oc4cc(N(CC)CC)ccc34)c3ccc(NCC)cc3oc-2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ FPR2 P25090 4/20 0.46
▸ TLR7 Q9NYK1 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ AVPR2 P30518 4/20 0.40
▸ NPY4R P50391 3/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 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
SCHEMBL14339025 0.94 TGM2 (0.41) TGM2MEN1USP2POLBPPARG
SCHEMBL12324197 0.89 MEN1 (0.48) TGM2MEN1USP2POLBPPARG
SCHEMBL13428258 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL18350813 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL14667860 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL22292200 0.85 USP2 (0.55) TGM2MEN1USP2POLBPPARG
SCHEMBL2732905 0.85 ABCB1 (0.43) TGM2MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL29557664 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL17693120 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL17693127 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG

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-7303591-B2 Composition comprising at least one mixed dye comprising at least two chromophores of (hetero) aromatic nitro or cyclic azine type, dyeing process, and mixed dyes L'OREAL S.A. (FR) 2007-12-04 — — US disclosed
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