SCHEMBL9057097

SCHEMBL9057097

c1cc(CNC2CCCCCC2)cc(-c2c[nH]cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 6/20 0.53
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PARP1 P09874 4/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CXCR4 P61073 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ NMT1 P30419 1/20 0.41

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
SCHEMBL8809463 0.79 ALDH1A1 (0.51) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL8809605 0.79 ALDH1A1 (0.51) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL18984688 0.78 MAP4K4 (0.56) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL8809947 0.78 MAP4K4 (0.50) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL8807206 0.78 MAP4K4 (0.50) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL13137081 0.77 MAP4K4 (0.50) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL8809501 0.77 ALDH1A1 (0.52) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL8807848 0.77 HRH3 (0.62) MAP4K4POLBALDH1A1PARP1KCNH2
Hydrochloric Acid SCHEMBL3053348 0.76 MAP4K4 (0.49) MAP4K4POLBALDH1A1PARP1KCNH2
SCHEMBL8809897 0.76 BCHE (0.44) ALDH1A1HRH3

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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