SCHEMBL11104530

SCHEMBL11104530

Cc1c(Cl)ncnc1NCCCCCOc1ccccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 2/20 0.35

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
SCHEMBL11110872 0.99 LMNA (0.50) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11110238 0.95 LMNA (0.45) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11101473 0.92 LMNA (0.43) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11106353 0.85 LMNA (0.50) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11109253 0.84 ALDH1A1 (0.45) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11104813 0.82 KDM4E (0.42) LMNAALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL11101849 0.81 DRD2 (0.47) LMNAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL11106513 0.80 LMNA (0.45) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11100849 0.79 ALDH1A1 (0.43) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11291172 0.78 LMNA (0.43) LMNAALDH1A1L3MBTL1KMT2AMEN1

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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