SCHEMBL14626964

SCHEMBL14626964

CC(=O)Cc1ccc(NC(=O)/C=C/c2cn(C)c3ccccc23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL14591772 0.90 MAPT (0.44) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL14626862 0.76 MAPT (0.49) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL14626967 0.76 MAPT (0.73) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL14626639 0.74 KMT2A (0.52) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL14626864 0.73 MAPT (0.53) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL14591771 0.72 MAPT (0.52) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL2431865 0.72 ITGB1 (0.57) MAPTRAB9AKMT2AHDAC6HDAC1
SCHEMBL23046854 0.72 KMT2A (0.69) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL8494191 0.72 KMT2A (0.73) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL8494188 0.72 KMT2A (0.73) MAPTMEN1RAB9AKMT2ANPC1

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
Send feedback