SCHEMBL9522264

SCHEMBL9522264

O=C(O)c1c2c(c(C(=O)O)c(C(=O)O)c1C(=O)O)Sc1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALOX15 P16050 1/20 0.39
BCHE P06276 6/20 0.38

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
SCHEMBL87589 0.77 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
Bicarbonate SCHEMBL28875368 0.75 BCHE (0.52) ALDH1A1MEN1KMT2ACYP1A2DAO
Thianthrene SCHEMBL30108387 0.72 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2762894 0.72 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL30944663 0.72 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
Carbamic Acid SCHEMBL28289344 0.70 BCHE (0.56) MEN1KMT2ACYP2C19CYP1A2HPGD
Benzene SCHEMBL28256335 0.68 BCHE (0.53) ALDH1A1MEN1KMT2AKDM4ECYP1A2
Mellitic Acid SCHEMBL28758936 0.67 CYP1A2 (0.47) CA12CA1CA2CA7CA9
Mellitic Acid SCHEMBL7862040 0.67 ALDH1A1 (0.82) CA12CA1CA2CA7CA9
SCHEMBL54422 0.67 KDM4E (0.58) CA12CA1CA2CA7CA9

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
CN-106478968-A A kind of preparation method of nanometer of Kapton 陕西科技大学 2017-03-08 CN claimed
CN-106478968-A A kind of preparation method of nanometer of Kapton 陕西科技大学 2017-03-08 CN disclosed
EP-0314766-B1 METHOD FOR MAKING THIANTHRENE DIANHYDRIDE AND POLYIMIDES OBTAINED THEREFROM GEN ELECTRIC (US) 1993-11-03 EP disclosed