SCHEMBL6918908

SCHEMBL6918908

OC1CCCN(c2cccc(-c3cnco3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.47
▸ DGAT2 Q96PD7 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RHOA P61586 2/20 0.43
▸ IMPDH2 P12268 1/20 0.41
▸ LRRK2 Q5S007 5/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL28794175 0.76 MAP4K4 (0.55) MAP4K4MEN1KMT2AIMPDH2CYP11B1
SCHEMBL1446773 0.75 MAP4K4 (0.49) MAP4K4DGAT2MEN1KMT2ARHOA
SCHEMBL6919267 0.75 IMPDH2 (0.48) MAP4K4DGAT2MEN1KMT2ARHOA
SCHEMBL22209788 0.72 MAP4K4 (0.48) MAP4K4DGAT2MEN1KMT2ARHOA
SCHEMBL17491538 0.72 RHOA (0.40) RHOAPDK2
SCHEMBL17491532 0.72 RHOA (0.40) RHOAPDK2
SCHEMBL17491466 0.72 RHOA (0.40) RHOAPDK2
SCHEMBL24746251 0.72 CHRNB2 (0.55) —
SCHEMBL29505484 0.72 CHRNB2 (0.55) —
SCHEMBL5408335 0.72 CHRNB2 (0.55) —

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-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 — — WO disclosed
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