SCHEMBL8370248

SCHEMBL8370248

O=C(O)c1cccnc1SSSc1ncccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
CYP2C9 P11712 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NAPRT Q6XQN6 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL8371363 0.96 ALDH1A1 (0.58) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL146157 0.92 ALDH1A1 (0.62) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL11504619 0.90 ALDH1A1 (0.60) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL18798785 0.85 ALDH1A1 (0.55) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL17153744 0.81 ALDH1A1 (0.55) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL5590925 0.81 ALDH1A1 (0.58) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL10491778 0.81 ALDH1A1 (0.58) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL355357 0.81 ALDH1A1 (0.59) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
Hydrochloric Acid SCHEMBL1375604 0.79 ALDH1A1 (0.62) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL21326417 0.79 SMN1; SMN2 (0.55) ALDH1A1CYP2C9SMN1; SMN2GAANPC1

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
EP-0552376-B1 PRODUCTION OF POLYMER HYDROXYLATED AT BOTH TERMINALS, COMPOSITION CONTAINING SAID POLYMER AND ITS USE, AND POLYMER DERIVED FROM SAID COMPOSITION AND ITS USE NIPPON CATALYTIC CHEM IND (JP) 1999-01-13 EP disclosed
US-5391665-A Catalyzed polymerization in the presence of a dihydroxypolysulfide compound NIPPON SHOKUBAI CO., LTD. (JP) 1995-02-21 US disclosed
EP-0552376-A1 PRODUCTION OF POLYMER HYDROXYLATED AT BOTH TERMINALS, COMPOSITION CONTAINING SAID POLYMER AND ITS USE, AND POLYMER DERIVED FROM SAID COMPOSITION AND ITS USE NIPPON SHOKUBAI CO., LTD. (JP) 1993-07-28 EP disclosed