SCHEMBL13926446

SCHEMBL13926446

Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)NCCSSCCNC(=O)Cn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.67
▸ MEN1 O00255 9/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ USP2 O75604 7/20 0.62
▸ APOBEC3G Q9HC16 3/20 0.62
▸ APOBEC3A P31941 2/20 0.62
▸ GPR55 Q9Y2T6 2/20 0.56
▸ TNNI3 P19429 1/20 0.56
▸ TNNT2 P45379 1/20 0.56
▸ TNNC1 P63316 1/20 0.56
▸ GPR35 Q9HC97 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL13926703 0.89 KMT2A (0.55) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL3933371 0.82 SMN1; SMN2 (0.71) KMT2AMEN1TDP1SMN1; SMN2HTT
SCHEMBL13908688 0.77 SMN1; SMN2 (0.63) KMT2AMEN1TDP1SMN1; SMN2HTT
SCHEMBL13926331 0.73 MEN1 (0.69) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926077 0.73 MEN1 (0.52) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13926076 0.71 SMN1; SMN2 (0.41) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13963449 0.70 SMN1; SMN2 (0.42) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL13963450 0.70 SMN1; SMN2 (0.41) KMT2AMEN1TDP1USP2APOBEC3G
SCHEMBL3834029 0.69 ATM (0.51) KMT2AMEN1APOBEC3GAPOBEC3ASMN1; SMN2
Hydrochloric Acid SCHEMBL3290887 0.69 ATM (0.50) KMT2AMEN1APOBEC3GAPOBEC3ASMN1; SMN2

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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