SCHEMBL13617215

SCHEMBL13617215

C=C(CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
KCNN4 O15554 1/20 0.41
KIF11 P52732 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
DUT P33316 1/20 0.39
TOP2A P11388 1/20 0.38

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
SCHEMBL16427979 0.76 LMNA (0.49) ALDH1A1KCNN4KIF11DUTSMN1; SMN2
SCHEMBL11133561 0.75 ALOX5 (0.53) ALDH1A1MAPTMEN1KMT2AHDAC3
SCHEMBL14286704 0.74 TDP1 (0.53) ALDH1A1MAPTKCNN4KIF11MEN1
SCHEMBL30625928 0.74 KIF11 (0.56) MAPTKCNN4KIF11KMT2ADUT
SCHEMBL11203911 0.73 ALOX5 (0.53) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL7430087 0.73 TDP1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11210249 0.72 MAPT (0.54) ALDH1A1MAPTHDAC1HDAC2SMN1; SMN2
SCHEMBL11204989 0.72 MAPT (0.54) ALDH1A1MAPTHDAC1HDAC2SMN1; SMN2
SCHEMBL11209239 0.72 MAPT (0.54) ALDH1A1MAPTHDAC1HDAC2SMN1; SMN2
SCHEMBL11204332 0.72 MAPT (0.54) ALDH1A1MAPTHDAC1HDAC2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed