SCHEMBL30764632

SCHEMBL30764632

CSc1nc2c(c(SC)n1)C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL30059797 0.81 TSHR (0.38) TSHRCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL30059781 0.81 ALDH1A1 (0.38) TSHRCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL30764525 0.78 TSHR (0.35) TSHRCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL30764481 0.72 TSHR (0.39) TSHRCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL2483863 0.68 SMN1; SMN2 (0.49) TSHRHSD17B10ALDH1A1KMT2AHTT
SCHEMBL2708822 0.66 ATM (0.35) KMT2AKDM4EGAA
SCHEMBL30642330 0.64 SMN1; SMN2 (0.46) TSHRHSD17B10ALDH1A1KMT2AHTT
SCHEMBL13482117 0.64 SMN1; SMN2 (0.46) TSHRHSD17B10ALDH1A1KMT2AHTT
SCHEMBL21404168 0.63 ALDH1A1 (0.41) CYP1A2HSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL30632015 0.63 ALDH1A1 (0.41) CYP1A2HSD17B10ALDH1A1KMT2AKDM4E

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-117337290-A Tri-ring ubiquitin-specific protease 1 inhibitors and uses thereof 山东轩竹医药科技有限公司 2024-01-02 CN disclosed