SCHEMBL9112152

SCHEMBL9112152

[CH2]C=Cc1ccc(OCC(=O)NC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
PTGS2 P35354 2/20 0.49
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 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
SCHEMBL9112146 1.00 MAPT (0.49) MAPTPTGS2PKMRECQLMEN1
SCHEMBL4489356 0.82 ALDH1A1 (0.61) MAPTPKMRECQLMEN1KMT2A
SCHEMBL171840 0.76 MEN1 (0.61) MAPTPKMRECQLMEN1KMT2A
SCHEMBL13916156 0.76 KMT2A (0.54) MAPTPKMRECQLMEN1KMT2A
SCHEMBL17775464 0.76 ALOX15 (0.59) MAPTPKMRECQLMEN1KMT2A
SCHEMBL4427417 0.76 PKM (0.54) MAPTPKMRECQLMEN1KMT2A
SCHEMBL14949145 0.75 PTGS2 (0.55) MAPTPTGS2PKMRECQLMEN1
SCHEMBL8260422 0.75 LMNA (0.61) MAPTPKMRECQLMEN1KMT2A
SCHEMBL778673 0.75 MEN1 (0.52) PKMRECQLMEN1KMT2AALDH1A1
SCHEMBL15300921 0.75 ALDH1A1 (0.67) MAPTPKMRECQLMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed