SCHEMBL28280273

SCHEMBL28280273

NC(=S)[S-].NC(=S)[S-].NC(=S)[S-].NC(=S)[S-].NC(=S)[S-].NC(=S)[S-].NC(=S)[S-].NC(=S)[S-].[C+4].[Mo+4]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.55
CA2 P00918 11/20 0.55
CA4 P22748 3/20 0.55
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
ATR Q13535 1/20 0.46
CA12 O43570 8/20 0.38
CA9 Q16790 8/20 0.38
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
THRB P10828 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 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
SCHEMBL20919779 0.95 CA1 (0.60) CA1CA2CA4TSHRATM
SCHEMBL5823720 0.95
SCHEMBL36487 0.95 CA1 (0.60) CA1CA2CA4TSHRATM
SCHEMBL8091291 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
SCHEMBL5157565 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
SCHEMBL27428074 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
SCHEMBL27955150 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
Zinc Ion SCHEMBL28323377 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
SCHEMBL29742330 0.89 CA1 (0.67) CA1CA2CA4TSHRATM
SCHEMBL451236 0.89

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
CN-109477023-A Lubricant compositions and lubricant oil composite 株式会社ADEKA 2019-03-15 CN disclosed