SCHEMBL9923947

SCHEMBL9923947

CCc1cc(Oc2ccc(NC(=O)[C@H](N)CC)cn2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
AAK1 Q2M2I8 2/20 0.40
GFER P55789 1/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL12593841 0.88 AAK1 (0.48) LTA4HALDH1A1MAPTAAK1KMT2A
SCHEMBL20567481 0.86 LTA4H (0.42) LTA4HALDH1A1MAPTAAK1GFER
SCHEMBL29437990 0.86 LTA4H (0.42) LTA4HALDH1A1MAPTAAK1GFER
SCHEMBL9923881 0.86 LTA4H (0.42) LTA4HALDH1A1MAPTAAK1GFER
SCHEMBL12594172 0.86 LTA4H (0.42) LTA4HALDH1A1MAPTAAK1GFER
SCHEMBL12593849 0.84 AAK1 (0.42) LTA4HALDH1A1MAPTAAK1GFER
SCHEMBL12594175 0.83 KMT2A (0.47) LTA4HALDH1A1MAPTAAK1GFER
SCHEMBL12594100 0.83 ACACA (0.40) LTA4HALDH1A1MAPTAAK1KMT2A
SCHEMBL17549698 0.82 LTA4H (0.64) LTA4HALDH1A1MAPTGFERRAB9A
SCHEMBL20906310 0.81 AAK1 (0.48) LTA4HALDH1A1MAPTAAK1RAB9A

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-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed