SCHEMBL11287858

SCHEMBL11287858

C=CCc1ccccc1OCCNc1ncnc(C)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ ADRB2 P07550 3/20 0.39
▸ ADRB1 P08588 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ BDKRB2 P30411 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PMP22 Q01453 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL11104973 0.88 KDM4E (0.47) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL11289896 0.86 KDM4E (0.46) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL11104667 0.86 KDM4E (0.46) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL11286552 0.86 L3MBTL1 (0.44) KDM4EALDH1A1LMNACYP1A2SLC6A2
SCHEMBL11292499 0.84 PDE5A (0.41) KDM4EALDH1A1LMNAHTR1AADRA2C
SCHEMBL11104158 0.83 KDM4E (0.45) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL11101546 0.82 DRD2 (0.45) KDM4EALDH1A1LMNACYP1A2CYP2D6
SCHEMBL11101829 0.82 KMT2A (0.47) ALDH1A1LMNACYP1A2CYP2D6TDP1
SCHEMBL11101848 0.80 MAPT (0.39) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL11285577 0.78 ALDH1A1 (0.47) KDM4EALDH1A1LMNACYP1A2CYP2D6

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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