SCHEMBL8790746

SCHEMBL8790746

Nc1cccc2c1C(=O)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
PTPRC P08575 1/20 0.38
MAOB P27338 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 2/20 0.35
PARP1 P09874 1/20 0.35
MAPK14 Q16539 2/20 0.35
THRB P10828 1/20 0.34
HSPA1A P0DMV8 1/20 0.33
PABPC1 P11940 1/20 0.33
FGR P09769 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
DYRK1A Q13627 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL10158539 0.80 MAPT (0.42) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL5539707 0.78 KDM4E (0.38) MAOBKDM4EMAPTCASP1CASP7
SCHEMBL9780105 0.76 TSHR (0.40) MAOBKDM4EMAPTCASP1CASP7
SCHEMBL1137861 0.76 MAPT (0.47) MAOBKDM4EMAPTCASP1CASP7
SCHEMBL17397682 0.76 KDM4E (0.37) MAOBKDM4EMAPTCASP1CASP7
SCHEMBL1265859 0.76 NOTUM (0.47) MAOBKDM4EMAPTCASP1CASP7
SCHEMBL7835016 0.75 ADORA2A (0.51) ADORA2APTPRCMAOBKDM4EMAPT
SCHEMBL1611599 0.73 MAOA (0.47) ADORA2APTPRCMAOBKDM4EMAPT
SCHEMBL11256633 0.73 MAOB (0.47) ADORA2APTPRCMAOBKDM4EMAPT
SCHEMBL1922596 0.72 KDM4E (0.55) MAOBKDM4EMAPTCASP1CASP7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620809-B1 $g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1997-03-05 EP disclosed
CN-1033451-C Alpha-substituted benzenemethanamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1996-12-04 CN disclosed
US-5480912-A Method of treating HIV-1 with α-substituted benzenemethanamine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1996-01-02 US disclosed
US-5407961-A Useful for treating HIV-1 virus JANSSEN PHARMACEUTICA N.V. (BE) 1995-04-18 US disclosed
EP-0620809-A1 -g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES. JANSSEN PHARMACEUTICA NV (BE) 1994-10-26 EP disclosed
WO-1993013052-A1 α-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-08 WO disclosed
CN-1073936-A The benzenemethanamine derivatives of alpha-substitution JANSSEN PHARMACEUTICA NV (BE) 1993-07-07 CN disclosed