SCHEMBL14626639

SCHEMBL14626639

CC(=O)Cc1ccc(/C=C/c2cn(C)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ MAPT P10636 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.49
▸ IMPDH2 P12268 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46

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
SCHEMBL14591786 0.86 MEN1 (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14626967 0.84 MAPT (0.73) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14626862 0.84 MAPT (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14626864 0.81 MAPT (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2604917 0.79 ALDH1A1 (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL27906936 0.79 ALDH1A1 (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8494188 0.76 KMT2A (0.73) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8494191 0.76 KMT2A (0.73) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14756766 0.75 MAPT (0.71) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14626964 0.74 MAPT (0.47) KMT2AMEN1MAPTNPC1RAB9A

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
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