SCHEMBL4410193

SCHEMBL4410193

CC(/C=C/C(=O)NCC(C)C)=C\C1=C(Cl)c2ccccc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ESR1 P03372 1/20 0.38
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL4410195 1.00 MAPT (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4267886 0.86 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4412532 0.81 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4412530 0.81 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4269301 0.80 RAB9A (0.46) MAPTMEN1KMT2AGAAESR1
SCHEMBL4271682 0.80 RAB9A (0.46) MAPTMEN1KMT2AGAAESR1
SCHEMBL4272704 0.76 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4265225 0.75 SMN1; SMN2 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4263444 0.74 ESR1 (0.49) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4263449 0.74 ESR1 (0.49) MAPTALDH1A1MEN1KMT2AGAA

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-2009110002-A1 NOVEL EFFLUX PUMP INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO disclosed