SCHEMBL19632078

SCHEMBL19632078

CC(C)NC(=O)NSc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 1/20 0.40
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
OGG1 O15527 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
ITGA5 P08648 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 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
SCHEMBL2298661 0.85 MEN1 (0.48) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL10679757 0.79 MEN1 (0.42) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL27301554 0.76 PARP1 (0.47) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL24691341 0.72 HPGD (0.51) LMNAHPGDALDH1A1MEN1KMT2A
Benzene SCHEMBL11580699 0.72 MEN1 (0.69) LMNAHPGDALDH1A1MEN1MAPT
SCHEMBL5448808 0.69 HPGD (0.70) LMNAHPGDMEN1KMT2ASLC6A2
SCHEMBL21098149 0.69 SMN1; SMN2 (0.42) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL19627379 0.69 FBP1 (0.63)
SCHEMBL28982445 0.68 IDO1 (0.40) ALDH1A1MEN1MAPTKMT2ACYP2C19
SCHEMBL1224992 0.68 TRPM5 (0.54) HPGDALDH1A1MEN1KMT2AALOX15

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-2017201155-A1 lSOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-11-23 WO disclosed