SCHEMBL20118992

SCHEMBL20118992

Cc1cccc(NC(=O)NS(=O)(=O)N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GBA1 P04062 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL20178573 0.81 MAPT (0.53) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL20173764 0.81 CA2 (0.59) KMT2AMEN1HTT
SCHEMBL5184916 0.81 LMNA (0.76) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4416620 0.80 SMN1; SMN2 (0.77) HSD17B10SMN1; SMN2KMT2APKMSAE1
SCHEMBL29703055 0.80 SMN1; SMN2 (0.77) HSD17B10SMN1; SMN2KMT2APKMSAE1
SCHEMBL2632867 0.79 SAE1 (0.68) HSD17B10SMN1; SMN2KMT2APKMSAE1
SCHEMBL14433200 0.77 HPGD (0.61) TSHRHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20118984 0.77 NPC1 (0.57) HSD17B10SMN1; SMN2KMT2APKMSAE1
SCHEMBL8625988 0.76 LMNA (0.60) TSHRHSD17B10KMT2ANPC1RAB9A
SCHEMBL18025299 0.76 POLB (0.63) TSHRHSD17B10SMN1; SMN2KMT2APKM

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-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed