SCHEMBL13647731

SCHEMBL13647731

Cc1nc(Cl)nc(N2CCN(CCN)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ SORD Q00796 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.32
▸ HTR6 P50406 1/20 0.32

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
SCHEMBL22924660 0.79 HRH4 (0.47) HRH4KMT2AMEN1SORDMAPT
SCHEMBL22661442 0.78 HRH4 (0.61) HRH4KMT2AHTR1AHTR6
SCHEMBL20805760 0.76 MAPK1 (0.44) HRH4ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL22661439 0.75 HRH4 (0.61) HRH4KMT2AHTR1AHTR6
SCHEMBL22603853 0.75 HRH4 (0.61) HRH4KMT2AHTR1AHTR6
SCHEMBL19295119 0.74 MAPK1 (0.47) HRH4ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL912709 0.71 MAPT (0.54) HRH4ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL22631949 0.69 HRH1 (0.53) HRH4ALDH1A1MAPTL3MBTL1
SCHEMBL17973027 0.69 ALOX15 (0.45) ALDH1A1ALOX15HTR1ADPP4
SCHEMBL9418612 0.69 SORD (0.49) ALDH1A1ALOX15KMT2AMEN1SORD

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-1387865-B1 FIBRE REACTIVE SCARLET AZO DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-10-28 — — EP disclosed
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