SCHEMBL16404352

SCHEMBL16404352

CCC(C)CNc1nc(-c2ccc(-c3nc(NCC(C)CC)c4ccccc4n3)cc2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 3/20 0.72
▸ PDE5A O76074 2/20 0.62
▸ CYP1A1 P04798 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ SLC6A3 Q01959 6/20 0.60
▸ GBA1 P04062 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ TLR9 Q9NR96 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL4084505 0.84 ACP1 (1.00) ACP1PDE5ACYP1A1CYP1A2SLC6A3
SCHEMBL5107759 0.78 ACP1 (0.74) ACP1PDE5ASLC6A3GBA1MEN1
SCHEMBL3460213 0.77 ACP1 (0.71) ACP1PDE5ASLC6A3GBA1MEN1
SCHEMBL1084184 0.77 CYP1A1 (0.77) ACP1PDE5ACYP1A1CYP1A2GBA1
SCHEMBL4866926 0.77 ACP1 (0.73) ACP1PDE5AGBA1MEN1KMT2A
SCHEMBL1085567 0.77 PDE5A (1.00) ACP1PDE5ACYP1A1CYP1A2GBA1
SCHEMBL4860036 0.76 ACP1 (0.74) ACP1PDE5AGBA1MEN1KMT2A
SCHEMBL17800938 0.76 SLC6A3 (0.89) CYP1A2SLC6A3ALDH1A1MAPT
SCHEMBL4868040 0.75 ACP1 (0.70) ACP1PDE5ACYP1A1CYP1A2GBA1
SCHEMBL17800891 0.75 SLC6A3 (1.00) CYP1A2SLC6A3ALDH1A1MAPT

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
US-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 — — US disclosed
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