SCHEMBL8809135

SCHEMBL8809135

c1ccc(C(c2ccccc2)(c2ccccc2)n2ccc(-c3cccc(CNC4CCCCCC4)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.45
▸ CARM1 Q86X55 2/20 0.42
▸ PRMT6 Q96LA8 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PARP1 P09874 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ CXCR4 P61073 1/20 0.39
▸ HTR5A P47898 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 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
SCHEMBL8810782 0.82 BCHE (0.37) ALDH1A1NMT1MEN1KMT2A
SCHEMBL8809947 0.81 MAP4K4 (0.50) MAP4K4CARM1PRMT6POLBKCNH2
SCHEMBL8812096 0.76 ALDH1A1 (0.40) POLBALDH1A1MEN1KMT2A
SCHEMBL8807848 0.76 HRH3 (0.62) MAP4K4CARM1PRMT6POLBKCNH2
SCHEMBL8812898 0.76 MAP4K4 (0.42) MAP4K4CARM1PRMT6POLBKCNH2
SCHEMBL18984688 0.72 MAP4K4 (0.56) MAP4K4CARM1PRMT6POLBKCNH2
SCHEMBL5800759 0.71 KMT2A (0.52) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL8808906 0.70 HRH3 (0.55) POLBALDH1A1PARP1HRH3CXCR4
SCHEMBL8809463 0.70 ALDH1A1 (0.51) MAP4K4POLBKCNH2ALDH1A1PARP1
SCHEMBL8809605 0.70 ALDH1A1 (0.51) MAP4K4POLBKCNH2ALDH1A1PARP1

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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
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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