SCHEMBL13908694

SCHEMBL13908694

CNc1ccc(C(=O)NCCSSCCNC(=O)c2ccc3c(c2)C(C)(C)C(/C=C/c2ccc(N(CCO)CCO)cc2)=[N+]3C)cc1C(C)(C)C/C=C/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ THRB P10828 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALPG P10696 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ NTSR1 P30989 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.33
▸ XBP1 P17861 2/20 0.33
▸ ALOX12 P18054 2/20 0.33

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
SCHEMBL13908683 0.79 VDR (0.41) VDRMEN1NPC1POLBMAPT
SCHEMBL13908692 0.79 HDAC1 (0.33) MEN1KMT2A
SCHEMBL13908710 0.77 VDR (0.34) VDRMEN1NPC1POLBMAPT
SCHEMBL13908726 0.73 PTGS1 (0.36) VDRMEN1NPC1MAPTRAB9A
SCHEMBL12667846 0.69 VDR (0.54) VDRMEN1NPC1POLBMAPT
SCHEMBL13908711 0.68 VDR (0.41) VDRMEN1NPC1POLBMAPT
SCHEMBL12668766 0.68 VDR (0.51) VDRMEN1NPC1POLBMAPT
SCHEMBL13926359 0.67 ABL1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL17320723 0.66 MAPT (0.55) VDRMEN1NPC1POLBMAPT
SCHEMBL12667859 0.66 VDR (0.49) VDRMEN1NPC1POLBMAPT

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
WO-2009037348-A1 INDOLINIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISNG THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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