SCHEMBL19669674

SCHEMBL19669674

Cc1nc2cccc(OCC(C)(C)NC(=O)CCCCCN=O)c2c(N)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL10258396 0.91 MEN1 (0.35) MEN1KMT2ANPC1LMNAHTT
SCHEMBL27103193 0.91 CYP1A2 (0.36) MEN1KMT2ANPC1LMNAHTT
Trifluoroacetic Acid SCHEMBL28461278 0.87 HDAC1 (0.34) MEN1KMT2ANPC1LMNAHTT
Trifluoroacetic Acid SCHEMBL618411 0.87 HDAC1 (0.34) MEN1KMT2ANPC1LMNAHTT
SCHEMBL621043 0.87 KMT2A (0.40) MEN1KMT2ANPC1LMNAHTT
SCHEMBL620099 0.85 CYP3A4 (0.40) NPC1RAB9AHDAC6HDAC3HDAC1
SCHEMBL620824 0.85 MEN1 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1SSTR4
SCHEMBL10257881 0.85 KMT2A (0.39) MEN1KMT2ASSTR4TP53HSD17B10
SCHEMBL619533 0.85 MEN1 (0.39) MEN1KMT2ANPC1SMN1; SMN2SSTR4
SCHEMBL620965 0.83 MEN1 (0.40) MEN1KMT2AHTTRAB9ASMN1; SMN2

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-9834544-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-12-05 — — US disclosed
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