SCHEMBL20217657

SCHEMBL20217657

N=C(c1ccc(OC2CC3CCC(C2)N3C2COC2)cc1)c1cc(C(=O)NCc2ccccc2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAOA P21397 4/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RORC P51449 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL20217305 0.81 HSD17B10 (0.49) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL20217479 0.78 MAPK1 (0.43) HSD17B10MAOAHPGDMEN1KMT2A
SCHEMBL20217667 0.77 CNR2 (0.42) HSD17B10HPGDKMT2AMAPK1KLKB1
SCHEMBL20217756 0.77 EPHX2 (0.41) KCNH2EPHX2KMT2AMAPK1
SCHEMBL20217582 0.74 HRH3 (0.39) KCNH2OPRM1OPRD1MEN1KMT2A
SCHEMBL20217393 0.72 ALDH1A1 (0.57) HSD17B10MAOAHPGDMEN1KMT2A
SCHEMBL20217247 0.72 KMT2A (0.48) HSD17B10HPGDMEN1KMT2A
SCHEMBL20217390 0.72 TTK (0.63) HSD17B10OPRK1KCNH2OPRM1MEN1
SCHEMBL20217541 0.72 CYP3A4 (0.49) HSD17B10OPRK1KCNH2OPRM1MEN1
SCHEMBL20217365 0.72 RXFP1 (0.44) MEN1KMT2AMAPK1

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
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed