SCHEMBL9876497

SCHEMBL9876497

O=C(O)/C=C/C(=O)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LPAR2 Q9HBW0 2/20 0.53
LPAR1 Q92633 1/20 0.53
LPAR3 Q9UBY5 2/20 0.50
THRB P10828 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP2 O95551 1/20 0.49
GAA P10253 1/20 0.49
AURKA O14965 4/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NMT1 P30419 1/20 0.48
PKM P14618 1/20 0.47
CREBBP Q92793 1/20 0.46
HTT P42858 1/20 0.45

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 1.00 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL9874685 0.86 KDM4E (0.45) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL6152873 0.84 MAOB (0.57) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL6152875 0.84 MAOB (0.57) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL10949559 0.83 MAP2K7 (0.45) AURKA
SCHEMBL9474772 0.83 KDM4E (0.40) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL9474776 0.83 KDM4E (0.40) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL9506549 0.81 HDAC3 (0.40) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL1247686 0.78 ROCK2 (0.55) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL1156215 0.78 PEPD (0.42) ALDH1A1MAPTKMT2AGAA

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
US-5064723-A METAL TREATMENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-12 US claimed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed