SCHEMBL19601629

SCHEMBL19601629

COc1nccc2c1CC(CO)S2

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL12463759 0.65 KDM4E (0.35) ALDH1A1KDM4EHTT
SCHEMBL19605838 0.62 JAK2 (0.32)
SCHEMBL31701317 0.60 ATR (0.42)
SCHEMBL607884 0.60 APLNR (0.40) ALDH1A1MAPTKDM4EHTTCYP1A2
SCHEMBL17624116 0.58 CHRM3 (0.35) ALDH1A1CYP1A2CYP3A4
SCHEMBL14001335 0.58 ALDH1A1 (0.33) ALDH1A1MAPTGAATDP1HPGD
SCHEMBL6431756 0.58 BRD4 (0.30)
SCHEMBL6431761 0.58 BRD4 (0.30)
SCHEMBL22131881 0.57 ACACB (0.46) TDP1
Thiopalmyrone SCHEMBL21648178 0.57 CYP3A4 (0.33) ALDH1A1MAPTCYP1A2CYP3A4

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
WO-2017197036-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed