SCHEMBL3234299

SCHEMBL3234299

COc1ccc(-c2csc(N(C(=O)CCCCCC(N)=O)c3cc(F)c(F)cc3N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 11/20 0.47
▸ MEN1 O00255 9/20 0.47
▸ TRPA1 O75762 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL3233744 0.90 KMT2A (0.47) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3240737 0.81 MAPK14 (0.48) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3238500 0.80 RAB9A (0.48) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3235671 0.78 GRM1 (0.44) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL7367407 0.74 MEN1 (0.57) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3262923 0.73 GRM1 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3262051 0.73 CYP1A2 (0.43) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3242900 0.73 HDAC1 (0.65) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3238571 0.73 HDAC1 (0.36) MAPTALDH1A1KMT2AMEN1HDAC3
SCHEMBL3233610 0.71 KDM4E (0.38) RAB9ANPC1MAPTALDH1A1LMNA

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-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 — — WO disclosed
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