SCHEMBL7217851

SCHEMBL7217851

Cc1ccc(NC(=O)c2ccccc2SC(C)(C)C)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ PKM P14618 1/20 0.56
▸ RAB9A P51151 8/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ F10 P00742 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KCNMA1 Q12791 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL28701891 0.81 F10 (0.66) MAPTPKMRAB9ANPC1NFKB1
SCHEMBL20022682 0.78 RAB9A (0.59) MAPTPKMRAB9ANPC1NFKB1
SCHEMBL92266 0.75 RAB9A (0.62) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL29175040 0.74 SMN1; SMN2 (0.66) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL14389186 0.73 RAB9A (0.56) MAPTPKMRAB9ANPC1NFKB1
SCHEMBL18844916 0.71 RAB9A (0.74) MAPTPKMRAB9ANPC1MEN1
SCHEMBL91651 0.70 RAB9A (0.56) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL91534 0.70 MAOB (0.60) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL10273857 0.70 NPC1 (0.54) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL92350 0.70 NPC1 (0.57) MAPTRAB9ANPC1NFKB1NFKB2

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
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 — — US claimed
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