SCHEMBL7025071

SCHEMBL7025071

c1ccc2c(-c3c[nH]cn3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HTT P42858 1/20 0.57
CLK1 P49759 1/20 0.54
GSK3B P49841 1/20 0.54
CDK5 Q00535 1/20 0.54
DYRK1A Q13627 1/20 0.54
CDK5R1 Q15078 1/20 0.54
MAP3K14 Q99558 1/20 0.54
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 4/20 0.51
HSD17B10 Q99714 2/20 0.51
THRB P10828 2/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
PDGFRB P09619 2/20 0.50

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
SCHEMBL26259398 0.81 MEN1 (0.33) MEN1KMT2AHTTCLK1GSK3B
SCHEMBL20017671 0.79 CLK1 (0.58) MEN1KMT2AHTTCLK1GSK3B
SCHEMBL26259557 0.77 IKBKE (0.32) MEN1KMT2AHTTGSK3BCDK5
SCHEMBL31127913 0.76 CLK1 (0.59) MEN1KMT2AHTTCLK1GSK3B
SCHEMBL11258541 0.76 CLK1 (0.59) MEN1KMT2AHTTCLK1GSK3B
SCHEMBL12676548 0.76 CDK9 (0.57) GSK3BCDK5DYRK1ACDK5R1PRKD3
SCHEMBL1202543 0.76 IMPDH2 (0.63) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL25034150 0.76 TUBB4A (0.68) MEN1KMT2AHTTCLK1GSK3B
SCHEMBL2870082 0.74 DYRK1A (0.57) MEN1KMT2AHTTCLK1GSK3B
SCHEMBL26259238 0.73 NISCH (0.41) MEN1KMT2AGSK3BCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11228572-A None JP disclosed
EP-1026170-B1 Erythromycin derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2003-01-15 EP disclosed
JP-2002114780-A 4-(3-INDOLYL)IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 2002-04-16 JP disclosed
JP-2002114780-A 4-(3-INDOLYL)IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 2002-04-16 JP disclosed
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed
EP-1026170-A1 Erythromycin derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 2000-08-09 EP disclosed
JP-H11228572-A 4-(3-INDOLYL)IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1999-08-24 JP disclosed
WO-1999035142-A1 4-(3-INDOLYL)IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-07-15 WO disclosed
WO-1999035142-A1 4-(3-INDOLYL)IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-07-15 WO disclosed