SCHEMBL7285293

SCHEMBL7285293

Cn1c2c(c3cccc(F)c31)C(=NO)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
UBE2N P61088 1/20 0.39
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.34
FABP3 P05413 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HPGD P15428 2/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL7285283 1.00 KDM4E (0.41) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL7285389 0.79 JAK2 (0.38) KDM4EALDH1A1JAK2BTKMEN1
SCHEMBL839 0.77 MAPK1 (0.52) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL838 0.77 MAPK1 (0.52) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL7294032 0.72 BCHE (0.49)
SCHEMBL7433263 0.71 KMT2A (0.43) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL7433257 0.71 KMT2A (0.43) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL5415870 0.70 HSD17B10 (0.46) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL5415867 0.70 HSD17B10 (0.46) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL7285339 0.69 BRD4 (0.42) JAK2BTK

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
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed