SCHEMBL13926696

SCHEMBL13926696

C=CC(/C=C/c1c(C)n(C)c2ccccc12)=C\C=N\CC(=O)NCCSSCCNC(=O)C[n+]1ccc(/C=C/c2c(C)n(C)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ USP2 O75604 3/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35
▸ TNNI3 P19429 1/20 0.35
▸ TNNT2 P45379 1/20 0.35
▸ TNNC1 P63316 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ APOBEC3A P31941 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL13926078 0.82 MEN1 (0.40) MEN1KMT2ATDP1USP2APOBEC3G
SCHEMBL18774335 0.79 KDM4A (0.35) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL13695043 0.77 PTGS2 (0.36) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL13875519 0.77 KDM4A (0.30) —
SCHEMBL16281753 0.76 — —
SCHEMBL16281742 0.76 KDM4A (0.32) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL19649248 0.76 — —
SCHEMBL13875544 0.75 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13799703 0.74 — —
SCHEMBL19649076 0.73 HDAC3 (0.33) MEN1KMT2AHDAC3HDAC4HDAC1

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-2009037325-A2 THIOL/DISULFIDE INDOLE-DERIVED, STYRYL DYE, DYE COMPOSITION COMPRISING SAID DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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