SCHEMBL8355188

SCHEMBL8355188

COC(=O)c1ccccc1[S+](C)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.55
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CFTR P13569 1/20 0.52
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A3 Q01959 4/20 0.45
MYC P01106 1/20 0.45
SLC6A4 P31645 2/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL29401812 0.85 TSHR (0.57) KDM4EPOLBATMTSHRLMNA
SCHEMBL6653931 0.85 TSHR (0.57) KDM4EPOLBATMTSHRLMNA
SCHEMBL30118160 0.85 TSHR (0.57) KDM4EPOLBATMTSHRLMNA
SCHEMBL27708863 0.84 LMNA (0.52) KDM4EPOLBATMTSHRLMNA
SCHEMBL31005137 0.82 TSHR (0.59) KDM4EPOLBATMTSHRLMNA
SCHEMBL3198419 0.82 TSHR (0.59) KDM4EPOLBATMTSHRLMNA
SCHEMBL10543415 0.80 NPC1 (0.40) KDM4EPOLBATMTSHRLMNA
SCHEMBL31005146 0.79 TSHR (0.50) KDM4EPOLBATMTSHRLMNA
SCHEMBL30118168 0.79 TSHR (0.50) KDM4EPOLBATMTSHRLMNA
Benzene SCHEMBL7833403 0.79 ALDH1A1 (0.52) KDM4EPOLBTSHRALDH1A1HSD17B10

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-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 WO disclosed