SCHEMBL9905575

SCHEMBL9905575

CCCC(=O)Nc1ccc(Oc2ccc(C)c3c2C(C)(C)CO3)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.43
MTNR1A P48039 2/20 0.43
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL19656029 0.89 GFER (0.42) MAPTSMN1; SMN2ALDH1A1GFERLMNA
SCHEMBL9905570 0.85 MTNR1B (0.49) MTNR1BMTNR1AMAPTRAB9ANPC1
SCHEMBL15534678 0.85 KMT2A (0.37) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15303642 0.84 AAK1 (0.37) ALDH1A1LMNAMEN1KMT2AHTR2C
SCHEMBL15306197 0.84 AAK1 (0.37) ALDH1A1LMNAMEN1KMT2AHTR2C
SCHEMBL15303403 0.83 GABRA5 (0.35) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL20598035 0.83 GABRA5 (0.35) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL16659201 0.81 KMT2A (0.39) MAPTRAB9ANPC1TP53GAA
SCHEMBL23279398 0.80 KEAP1 (0.32) MAPTRAB9ANPC1KDM4EHTR2C
SCHEMBL16193648 0.79 KMT2A (0.32) MAPTALDH1A1GFERMEN1KMT2A

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-2649066-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2013-10-16 EP disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed