SCHEMBL19075005

SCHEMBL19075005

CCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
USP2 O75604 2/20 0.43
HSP90AA1 P07900 1/20 0.42
ADORA2A P29274 9/20 0.41
ADORA1 P30542 9/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HPGD P15428 4/20 0.39
BLM P54132 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL846371 0.90 L3MBTL1 (0.44) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL879437 0.90 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL10305700 0.88 L3MBTL1 (0.42) L3MBTL1KDM4EMEN1ALDH1A1POLB
Sipagladenant SCHEMBL879438 0.87 L3MBTL1 (0.47) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL846999 0.86 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL10331934 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL846961 0.85 L3MBTL1 (0.42) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL846810 0.85 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL1255678 0.85 ALDH1A1 (0.52) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL1257097 0.85 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1ALDH1A1POLB

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
EP-2308509-B1 INHIBITOR OF ANALGESIC TOLERANCE KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-05 EP disclosed