SCHEMBL9767841

SCHEMBL9767841

COC(=O)c1ccccc1NC(=O)C=Cc1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.68
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
HTT P42858 3/20 0.61
ALDH1A1 P00352 8/20 0.59
THRB P10828 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 6/20 0.57
MAPT P10636 6/20 0.57
KMT2A Q03164 6/20 0.57
KDM4E B2RXH2 6/20 0.57
GAA P10253 3/20 0.57
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
UBE2I P63279 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
HPGD P15428 4/20 0.57

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
SCHEMBL9767935 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL9767800 0.88 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL9767854 0.85 RAB9A (0.69) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL13854028 0.85 RAB9A (0.69) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL9768217 0.84 RAB9A (0.67) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL9768214 0.83 RAB9A (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL9767835 0.83 RAB9A (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
Potassium Ion SCHEMBL9767821 0.83 RAB9A (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL9767850 0.82 RAB9A (0.56) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL14819045 0.81 MEN1 (0.56) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006548-A Hyaluronidase inhibitors, antiallergens, immunomodulators SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-04-09 US disclosed
EP-0153850-B1 ACRYLAMIDOBENZOIC ACID DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
EP-0153850-A1 Acrylamidobenzoic acid derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1985-09-04 EP disclosed