SCHEMBL13926076

SCHEMBL13926076

C/N=C(\C=C\c1c(C)n(CC(=O)NCCSSCCNC(=O)Cn2c(C)c(/C=C/c3n(C)c4ccccc4[n+]3C)c3ccccc32)c2ccccc12)N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ SRC P12931 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL13926329 0.88 MEN1 (0.33) KMT2AMEN1TDP1USP2APOBEC3A
SCHEMBL13926695 0.84 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AMEN1TDP1HTT
SCHEMBL13926702 0.74 MEN1 (0.34) SMN1; SMN2KMT2AMEN1USP2APOBEC3A
SCHEMBL13926446 0.71 KMT2A (0.67) SMN1; SMN2KMT2AMEN1TDP1HTT
SCHEMBL3933371 0.71 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AMEN1TDP1HTT
SCHEMBL13926079 0.70 KDM4E (0.37) SMN1; SMN2KMT2AMEN1TDP1SRC
SCHEMBL13908688 0.67 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMEN1TDP1HTT
SCHEMBL13926703 0.67 KMT2A (0.55) SMN1; SMN2KMT2AMEN1TDP1HTT
SCHEMBL3834029 0.67 ATM (0.51) SMN1; SMN2KMT2AMEN1HTTAPOBEC3A
SCHEMBL13926704 0.66 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1TDP1HTT

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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