SCHEMBL13926078

SCHEMBL13926078

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ USP2 O75604 4/20 0.40
▸ GPR55 Q9Y2T6 2/20 0.40
▸ APOBEC3G Q9HC16 2/20 0.40
▸ TNNI3 P19429 1/20 0.40
▸ TNNT2 P45379 1/20 0.40
▸ TNNC1 P63316 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ APOBEC3A P31941 1/20 0.35
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 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
SCHEMBL18774418 0.85 MEN1 (0.32) MEN1KMT2APOLB
SCHEMBL13926450 0.82 MEN1 (0.40) MEN1KMT2AUSP2GPR55APOBEC3G
SCHEMBL13926696 0.82 MEN1 (0.36) MEN1KMT2AUSP2GPR55APOBEC3G
SCHEMBL16070280 0.75 APP (0.32) —
SCHEMBL12451468 0.75 KDM4A (0.43) MEN1KMT2AAPOBEC3GRAB9AAPOBEC3A
SCHEMBL18774196 0.73 PTGS2 (0.38) MEN1KMT2ARAB9AMAPTHDAC3
SCHEMBL18774214 0.71 MAOB (0.35) —
SCHEMBL18774194 0.71 MEN1 (0.38) MEN1KMT2AMAPT
SCHEMBL18774292 0.71 CHRM2 (0.35) —
SCHEMBL21005628 0.70 — —

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
Send feedback