SCHEMBL8378348

SCHEMBL8378348

CC(C)(c1ccccc1)c1ccc(OCc2cccc(COc3ccc(C(N)=NO)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.51
MAOB P27338 3/20 0.49
NR4A2 P43354 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
F10 P00742 1/20 0.46
PARP10 Q53GL7 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 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
SCHEMBL8378347 1.00 F2 (0.51) F2MAOBNR4A2PTPRCPTPN1
SCHEMBL8378355 0.83 MAOB (0.47) F2MAOBNR4A2PTPRCPTPN1
SCHEMBL8378353 0.83 MAOB (0.47) F2MAOBNR4A2PTPRCPTPN1
SCHEMBL7301072 0.82 PARP10 (0.66) F2MAOBNR4A2PARP10RAB9A
SCHEMBL8632820 0.81 NPC1 (0.47) F2MAOBNR4A2PTPRCPTPN1
SCHEMBL8518423 0.79 GPR132 (0.49) MAOBNR4A2PTPRCPTPN1RAB9A
SCHEMBL8518418 0.79 GPR132 (0.49) MAOBNR4A2PTPRCPTPN1RAB9A
SCHEMBL8756345 0.79 MAOB (0.63) MAOBNR4A2PTPRCPTPN1RAB9A
Hydrochloric Acid SCHEMBL8756303 0.79 RAB9A (0.52) RAB9AGAAPKMNPC1SMN1; SMN2
SCHEMBL6354816 0.79 PTPRC (0.46) F2MAOBNR4A2PTPRCPTPN1

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-0770059-B1 SUBSTITUTED BENZAMIDINES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-07 EP claimed