SCHEMBL13926703

SCHEMBL13926703

C/C=C(\C=C/NC)/C=C/c1c(C)n(CC(=O)NCCSSCCNC(=O)Cn2c(C)c(/C=C/c3cc[n+](C)cc3)c3ccccc32)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.55
▸ MEN1 O00255 8/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ USP2 O75604 6/20 0.51
▸ APOBEC3G Q9HC16 3/20 0.51
▸ APOBEC3A P31941 2/20 0.51
▸ GPR55 Q9Y2T6 2/20 0.46
▸ TNNI3 P19429 1/20 0.46
▸ TNNT2 P45379 1/20 0.46
▸ TNNC1 P63316 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ RAB9A P51151 4/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ NOD2 Q9HC29 1/20 0.31

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
SCHEMBL13926446 0.89 KMT2A (0.67) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926077 0.87 MEN1 (0.52) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926646 0.80 MEN1 (0.42) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL3933371 0.73 SMN1; SMN2 (0.71) KMT2AMEN1TDP1SMN1; SMN2HTT
SCHEMBL13926106 0.72 SMN1; SMN2 (0.39) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926334 0.72 MEN1 (0.36) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926456 0.71 MEN1 (0.53) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926116 0.70 MEN1 (0.37) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL17733984 0.69 ALDH1A1 (0.33) KMT2AMEN1USP2APOBEC3GAPOBEC3A
SCHEMBL13908688 0.69 SMN1; SMN2 (0.63) KMT2AMEN1TDP1SMN1; SMN2HTT

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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