SCHEMBL8419253

SCHEMBL8419253

CCSCCSCCNC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
GBA1 P04062 2/20 0.31
LDHA P00338 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11314206 0.83 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL7748446 0.79 CES2 (0.48) TSHR
SCHEMBL7749272 0.79 CES2 (0.48) TSHR
SCHEMBL30662613 0.78 TSHR (0.48) TSHRALDH1A1TDP1
SCHEMBL11555964 0.78 TSHR (0.48) TSHRALDH1A1TDP1
SCHEMBL11316380 0.78 TSHR (0.48) TSHRPKMALDH1A1APOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL17633923 0.77 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL11648481 0.77 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL5211372 0.76
SCHEMBL9888728 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888717-A CONTAINING ORGANOSELENIUM OR ORGANOTELLURIUM COMPOUND AGFA-GEVAERT AG (DE) 1999-03-30 US disclosed