SCHEMBL28867928

SCHEMBL28867928

CC(OC(=O)S(=O)(=O)c1ccccc1)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.39
CTSA P10619 7/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.37
GBA1 P04062 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACP1 P24666 1/20 0.36
PTPRB P23467 1/20 0.36

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
SCHEMBL6009362 0.78 RBBP9 (0.49) LMNAPOLBCTSAALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL7013057 0.74 CTSA (0.38) LMNACTSAALDH1A1NPC1RAB9A
SCHEMBL6009307 0.74 ALDH1A1 (0.44) HSD17B10CTSAALDH1A1NPC1RAB9A
SCHEMBL8366794 0.72 ALDH1A1 (0.39) LMNACTSAALDH1A1NPC1RAB9A
SCHEMBL29291637 0.69 CA12 (0.53) CTSAALDH1A1KMT2ATSHR
SCHEMBL507287 0.67 ALDH1A1 (0.35) LMNAHSD17B10CTSAALDH1A1NPC1
SCHEMBL2653105 0.66 KDM4E (0.36) LMNAHSD17B10CTSAALDH1A1NPC1
SCHEMBL22474224 0.65 CTSA (0.47) CTSAMEN1KMT2ANPC1RAB9A
SCHEMBL27769601 0.65 CTSA (0.61) CTSA
SCHEMBL909602 0.65 ALDH1A1 (0.44) LMNACTSAALDH1A1NPC1RAB9A

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
CN-109071504-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2018-12-21 CN disclosed