SCHEMBL18542005

SCHEMBL18542005

CC(C)c1nnc(NC=O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.51
RAB9A P51151 8/20 0.51
ALDH1A1 P00352 8/20 0.51
NPC1 O15118 7/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
G6PD P11413 1/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9213019 0.74 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL2437459 0.72
SCHEMBL1451543 0.71 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL2440995 0.70
SCHEMBL1106504 0.69 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL14012701 0.69 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL11871419 0.69 LMNA (0.49) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL8042854 0.68
SCHEMBL15331254 0.68 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL2442388 0.68 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1NPC1TP53

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-2017029498-A1 2-SULFONYLPYRIMIDINES MEDICAL RESEARCH COUNCIL (GB) 2017-02-23 WO disclosed