SCHEMBL4752222

SCHEMBL4752222

COC(=O)c1ccsc1NC(=O)CSc1ccccc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 4/20 0.53
LMNA P02545 1/20 0.53
MAPK8 P45983 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47

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
SCHEMBL4752214 0.83 L3MBTL1 (0.66) SMN1; SMN2HSD17B10ALDH1A1TSHRNPC1
SCHEMBL4753007 0.82 LMNA (0.77) SMN1; SMN2ALDH1A1LMNAMAPK8CYP1A2
SCHEMBL4751819 0.78 NPC1 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL4752208 0.78 LMNA (0.69) SMN1; SMN2HSD17B10ALDH1A1TSHRNPC1
SCHEMBL4753022 0.77 KDM4E (0.63) SMN1; SMN2HSD17B10ALDH1A1TSHRNPC1
SCHEMBL4751921 0.77 L3MBTL1 (0.54) SMN1; SMN2HSD17B10ALDH1A1TSHRNPC1
SCHEMBL4751453 0.77 L3MBTL1 (0.64) SMN1; SMN2HSD17B10ALDH1A1TSHRNPC1
SCHEMBL4752199 0.76 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10ALDH1A1TSHRNPC1
SCHEMBL4753019 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL11869892 0.74 MTNR1A (0.55) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed