SCHEMBL11290156

SCHEMBL11290156

Cc1c(Cl)ncnc1NCCCOc1cccc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SCN9A Q15858 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 4/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ SOD1 P00441 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL11112404 0.83 PIK3CD (0.53) L3MBTL1PIK3CDPIK3R1DRD2DRD4
SCHEMBL11101849 0.73 DRD2 (0.47) LMNAHTTKMT2ASMN1; SMN2MAPT
SCHEMBL11106942 0.73 ALDH1A1 (0.47) LMNAHTTPIK3CDPIK3R1KMT2A
SCHEMBL11109561 0.72 DRD2 (0.47) POLBPIK3CDPIK3R1DRD2DRD4
SCHEMBL16217340 0.72 HTR1B (0.58) LMNAHTTPOLBL3MBTL1KMT2A
SCHEMBL11110243 0.71 PIK3CD (0.39) LMNAHTTPOLBPIK3CDPIK3R1
SCHEMBL11105878 0.71 HTR1B (0.41) LMNAPIK3CDPIK3R1KMT2ASMN1; SMN2
SCHEMBL18591808 0.70 POLB (0.52) LMNAHTTPOLBL3MBTL1KMT2A
SCHEMBL11110238 0.70 LMNA (0.45) LMNAHTTPOLBL3MBTL1PIK3CD
SCHEMBL11105916 0.70 S1PR4 (0.47) LMNAHTTL3MBTL1PIK3CDPIK3R1

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-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 — — EP disclosed
Send feedback