SCHEMBL11286552

SCHEMBL11286552

CCc1ccccc1OCCNc1ncnc(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ BRD4 O60885 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ KMT2A Q03164 2/20 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
SCHEMBL11292499 0.90 PDE5A (0.41) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11108141 0.87 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11287858 0.86 KDM4E (0.46) MAPTBRD4EGFRERBB2ERBB4
SCHEMBL11101546 0.86 DRD2 (0.45) MAPTBRD4EGFRERBB2ERBB4
SCHEMBL11101829 0.86 KMT2A (0.47) L3MBTL1MAPTBRD4EGFRERBB2
SCHEMBL11107673 0.85 LMNA (0.41) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11287764 0.85 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11105712 0.85 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11281520 0.84 PDE5A (0.35) BRD4EGFRERBB2ERBB4PDE5A
SCHEMBL11100914 0.84 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1BRD4EGFR

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
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