SCHEMBL2186979

SCHEMBL2186979

NC(=Nc1nc2ccccc2[nH]1)NC(=O)c1csc(NC(=O)c2c(F)cccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ABL1 P00519 1/20 0.40
SLC40A1 Q9NP59 6/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2187052 0.87 NPC1 (0.50) MAPTPOLBALDH1A1KDM4EHTT
SCHEMBL2186997 0.87 IRAK4 (0.41) MEN1KMT2AKDM4ENPSR1TDP1
SCHEMBL2187178 0.84 CSNK1D (0.45) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL2186693 0.84 MMP2 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2189024 0.83 CSNK1E (0.49) NPSR1NPC1SMN1; SMN2LMNATP53
SCHEMBL2186602 0.83 FOXO1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL2187310 0.81 NPC1 (0.52) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL2189072 0.81 CSNK1E (0.58) SLC40A1NPC1RAB9ALMNATP53
SCHEMBL2186970 0.80 NPC1 (0.49) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL2185628 0.79 SMN1; SMN2 (0.39) MAPTPOLBCYP1A2NPSR1TDP1

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