SCHEMBL11552038

SCHEMBL11552038

CN(C)c1nc(Cl)nc(N2CCCCC2)n1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL19295121 0.98 SMN1; SMN2 (0.43) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL8535478 0.83 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2CYP1A2ATMMEN1
SCHEMBL2242665 0.80 SMN1; SMN2 (0.52) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL28998684 0.80 SMN1; SMN2 (0.58) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL1090112 0.80 SMN1; SMN2 (0.58) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL8422457 0.80 SMN1; SMN2 (0.58) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL778332 0.80 SMN1; SMN2 (0.52) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL2453047 0.80 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL9073359 0.78 HRH1 (0.56) ALDH1A1TP53SMN1; SMN2CYP1A2ATM
SCHEMBL9336873 0.78 HRH1 (0.50) ALDH1A1TP53SMN1; SMN2CYP1A2ATM

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-0001981-A1 9-(Omega-heteroarylamino-alkylamino)-erythromycins, their salts, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1979-05-30 — — EP disclosed
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