SCHEMBL2187310

SCHEMBL2187310

COc1ccccc1C(=O)Nc1nc(C(=O)NC(N)=Nc2nc3ccccc3[nH]2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
PKM P14618 3/20 0.52
PAX8 Q06710 2/20 0.52
HSP90AA1 P07900 2/20 0.52
PSMD14 O00487 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
FOXO1 Q12778 1/20 0.45
CSNK1E P49674 3/20 0.44
MME P08473 1/20 0.44
CSNK1D P48730 1/20 0.44
POLB P06746 2/20 0.42
KLF5 Q13887 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL2189072 0.89 CSNK1E (0.58) NPC1RAB9APKMPAX8HSP90AA1
SCHEMBL2187052 0.83 NPC1 (0.50) NPC1RAB9APKMCSNK1ECSNK1D
SCHEMBL2185628 0.82 SMN1; SMN2 (0.39) NPC1RAB9AL3MBTL1FOXO1CSNK1E
SCHEMBL2186693 0.81 MMP2 (0.46) NPC1RAB9APKMLMNAKLF5
SCHEMBL2186979 0.81 MAPT (0.44) NPC1RAB9APKMLMNACSNK1E
SCHEMBL2187182 0.81 CSNK1E (0.47) NPC1RAB9ACSNK1ECSNK1DPOLB
SCHEMBL2187302 0.81 NPC1 (0.65) NPC1RAB9APKMPAX8HSP90AA1
SCHEMBL2187178 0.80 CSNK1D (0.45) NPC1RAB9APKMCSNK1ECSNK1D
SCHEMBL2189024 0.79 CSNK1E (0.49) NPC1PKMLMNAL3MBTL1CSNK1E
SCHEMBL2186997 0.79 IRAK4 (0.41) NPC1RAB9APKMLMNACSNK1E

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed