SCHEMBL9874685

SCHEMBL9874685

O=C(O)C=CC(=O)NCCCC=CC(=O)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LPAR2 Q9HBW0 2/20 0.40
LPAR1 Q92633 1/20 0.40
AURKA O14965 6/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 2/20 0.37
TDP2 O95551 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
NMT1 P30419 1/20 0.36
HDAC3 O15379 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL9506585 0.86 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL9876497 0.86 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL9506549 0.84 HDAC3 (0.40) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL6152873 0.72 MAOB (0.57) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL6152875 0.72 MAOB (0.57) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL10949559 0.71 MAP2K7 (0.45) AURKA
SCHEMBL9474776 0.71 KDM4E (0.40) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL9474772 0.71 KDM4E (0.40) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL16326619 0.68 KDM4E (0.36) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL9474666 0.67 CNR1 (0.60) KDM4EALDH1A1KMT2AMAPTSMN1; 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
US-5064723-A METAL TREATMENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-12 US claimed