SCHEMBL12426934

SCHEMBL12426934

O=[N+]([O-])c1ccc(SCc2ccc(C(SCc3ccc(C(SCc4ccc(C(Sc5ccc(Br)cc5)Sc5ccc(Br)cc5)cc4)SCc4ccc(C(Sc5ccc(Br)cc5)Sc5ccc(Br)cc5)cc4)cc3)SCc3ccc(C(SCc4ccc(C(Sc5ccc(Br)cc5)Sc5ccc(Br)cc5)cc4)SCc4ccc(C(Sc5ccc(Br)cc5)Sc5ccc(Br)cc5)cc4)cc3)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.43
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ HSD17B3 P37058 1/20 0.35

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
SCHEMBL12426929 1.00 TDP1 (0.43) TDP1MAPTALDH1A1LMNARECQL
SCHEMBL2198911 0.96 TDP1 (0.46) TDP1MAPTALDH1A1LMNARECQL
SCHEMBL2198915 0.77 MAPT (0.43) TDP1MAPTALDH1A1LMNARECQL
SCHEMBL5321709 0.72 TDP1 (0.57) TDP1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL12426928 0.71 EPHX1 (0.37) MEN1KMT2A
SCHEMBL12426942 0.71 EPHX1 (0.37) MEN1KMT2A
SCHEMBL12426955 0.71 NPC1 (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL5321454 0.71 MAPT (0.57) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29900467 0.71 KDM4E (0.57) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11710551 0.71 KDM4E (0.57) TDP1MAPTALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 — — US disclosed
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 — — US disclosed
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