SCHEMBL10345356

SCHEMBL10345356

CCCCCCCCOC(N)=S.CCCCCCCCOC(N)=S.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.45
TSHR P16473 3/20 0.44
LPAR2 Q9HBW0 3/20 0.43
LPAR3 Q9UBY5 3/20 0.43
HTR2C P28335 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11609392 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL20897755 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL11765756 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL6691892 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL9648929 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL9784644 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL701004 0.98 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL12095457 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL11438032 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL14763657 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631647-B Sealant rubber composition for inner surface of tire and sealant coated tire 住友橡胶工业株式会社 2023-12-08 CN disclosed
EP-0223149-B1 HEAT RESISTANT CHLOROPRENE COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-23 EP disclosed
EP-0223149-A1 Heat resistant chloroprene copolymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP disclosed
US-4605705-A DIISOPROPYL XANTHOGEN DISULFIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-12 US disclosed
EP-0175245-A2 Heat resistant sulfur-modified polychloroprene copolymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-26 EP disclosed