SCHEMBL9056638

SCHEMBL9056638

c1cn(-c2ccc(CNC3CCCCCC3)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.54
▸ POLB P06746 1/20 0.48
▸ HDAC1 Q13547 1/20 0.45
▸ NOTUM Q6P988 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ USP1 O94782 1/20 0.43
▸ WDR48 Q8TAF3 1/20 0.43
▸ CXCL12 P48061 1/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL8811827 0.81 HRH3 (0.54) HRH3POLBHDAC1NOTUMKDM4E
SCHEMBL8818072 0.77 HRH3 (0.60) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL10953965 0.76 HRH3 (0.88) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL9062963 0.75 HRH3 (0.54) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8808479 0.75 HRH3 (0.54) HRH3POLBHDAC1NOTUMKDM4E
SCHEMBL8810828 0.75 HRH3 (0.62) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL20868291 0.74 NOTUM (0.58) NOTUMUSP1WDR48PARP1
SCHEMBL21449052 0.74 NOTUM (0.57) NOTUMUSP1WDR48PARP1
SCHEMBL19650814 0.72 BRD4 (0.50) HRH3NOTUMKDM4EALDH1A1CXCR4
SCHEMBL5863541 0.72 HRH3 (0.67) HRH3POLBHDAC1KDM4EALDH1A1

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
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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