SCHEMBL14640455

SCHEMBL14640455

COc1ccc(CCNC(=O)c2cncc(-c3ccc(C(C)(C)C)cc3)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.60
▸ GAA P10253 1/20 0.57
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KDM1A O60341 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ PTAFR P25105 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ESRRG P62508 1/20 0.49

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
SCHEMBL14082528 0.81 MAPK1 (0.78) MAPK1ALDH1A1GAAMEN1KMT2A
SCHEMBL14640450 0.79 RAB9A (0.52) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14640454 0.79 HDAC1 (0.78) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL14252956 0.78 SMN1; SMN2 (0.77) MAPK1ALDH1A1GAAMEN1KMT2A
SCHEMBL1968315 0.78 MAPK1 (0.74) MAPK1ALDH1A1GAAMEN1KMT2A
SCHEMBL14640424 0.78 HTT (0.63) GAAMAPTKDM1AHDAC1POLB
SCHEMBL14640423 0.76 RAB9A (0.55) MAPK1NPC1RAB9AKDM1AHDAC1
SCHEMBL29008967 0.76 GAA (0.70) MAPK1ALDH1A1GAAMEN1KMT2A
SCHEMBL1971770 0.76 MAPK1 (1.00) MAPK1ALDH1A1GAAMEN1KMT2A
SCHEMBL29356619 0.75 ALDH1A1 (0.77) MAPK1ALDH1A1GAAMEN1KMT2A

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-2007011760-A2 INHIBITORS OF MITOTIC KINESIN KALYPSYS, INC. (US) 2007-01-25 — — WO disclosed
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