SCHEMBL13565341

SCHEMBL13565341

CC(C)c1ccc(N2C(=O)c3ccc(NCc4ccc(NS(=O)(=O)C(C)(C)C)cc4)cc3C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36

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
SCHEMBL13565279 0.90 ALDH1A1 (0.48) MAPTGAASMN1; SMN2KDM4EALOX15
SCHEMBL13566057 0.88 ALDH1A1 (0.39) ALDH1A1TSHRPOLBNPC1RAB9A
SCHEMBL11936078 0.88 MAPT (0.42) MAPTGAASMN1; SMN2KDM4EALOX15
SCHEMBL13565269 0.88 ALDH1A1 (0.43) MAPTKDM4EMAPK1ALDH1A1POLB
SCHEMBL17090252 0.86 CA1 (0.41) ALDH1A1POLBHPGDCA12CA1
SCHEMBL11935923 0.84 ALDH1A1 (0.48) MAPTGAASMN1; SMN2KDM4EALOX15
SCHEMBL13565961 0.83 DDB1 (0.37) MAPTGAASMN1; SMN2KDM4EL3MBTL1
SCHEMBL17090234 0.82 APP (0.44) SMN1; SMN2KDM4EALDH1A1POLBHPGD
SCHEMBL13565898 0.81 KDM4E (0.48) MAPTGAASMN1; SMN2KDM4EALOX15
SCHEMBL10116267 0.81 LMNA (0.50) MAPTGAASMN1; SMN2KDM4ETDP1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed