SCHEMBL11409489

SCHEMBL11409489

O=CS(=O)(=O)Oc1[c]ccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
KEAP1 Q14145 1/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9463756 0.80 SLC22A6 (0.39) ERN1KEAP1CYP1A2CA1CA2
SCHEMBL9987590 0.76 CA1 (0.32) CA1CA2CA9
SCHEMBL311749 0.73 ALDH1A1 (0.42) ERN1KEAP1MAPTCYP1A2CYP2C9
SCHEMBL1253062 0.71 ALDH1A1 (0.41) ERN1KEAP1MAPTCYP1A2CYP2C9
SCHEMBL221122 0.70 MAPT (0.44) MAPTCYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL20507058 0.69 ALDH1A1 (0.34) KEAP1CA1CA2TDP1ALDH1A1
SCHEMBL10953256 0.69 MAPT (0.43) ERN1KEAP1MAPTCYP1A2CYP2C9
SCHEMBL8129922 0.67 MAPT (0.41) MAPTRAB9ATDP1ALDH1A1CYP2A6
SCHEMBL8890037 0.67 KEAP1 (0.42) KEAP1CYP1A2CA1CA2CA9
SCHEMBL15412117 0.67 SLC2A1 (0.35) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2

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
US-4239755-A SLOW RELEASE IN VIVO OF ACTIVE STEROIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-12-16 US disclosed
US-4203864-A DISSOLVING A CONDENSED PHOSPHATE IN WATER; ADDING UREA, SOLID PARTICLES AND THEN AND ANTIFREEZE SOLUTION INTERNATIONAL TELEPHONE AND TELEGRAPH CORPORATION (US) 1980-05-20 US disclosed