SCHEMBL11111799

SCHEMBL11111799

CCCc1ccccc1OCCNc1ncnc(Cl)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ CETP P11597 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11105751 0.85 PDE5A (0.41) PDE5APPARDBRD4EGFRERBB2
SCHEMBL11108346 0.85 PDE5A (0.41) PDE5APPARDBRD4EGFRERBB2
SCHEMBL11292499 0.81 PDE5A (0.41) PDE5APPARDBRD4EGFRERBB2
SCHEMBL11109253 0.81 ALDH1A1 (0.45) BRD4EGFRERBB2ERBB4PIK3CD
SCHEMBL11101312 0.81 DRD2 (0.43) BRD4EGFRERBB2ERBB4KMT2A
SCHEMBL11100661 0.78 PPARD (0.41) PDE5APPARDBRD4EGFRERBB2
SCHEMBL11257260 0.77 LDHA (0.62) BRD4EGFRERBB2ERBB4PIK3CD
SCHEMBL11287541 0.77 PPARD (0.40) PDE5APPARDBRD4EGFRERBB2
SCHEMBL11100914 0.76 L3MBTL1 (0.46) PDE5ABRD4EGFRERBB2ERBB4
SCHEMBL11284055 0.76 PPARD (0.40) PDE5APPARDBRD4EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
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
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