SCHEMBL30059797

SCHEMBL30059797

CSc1nc(Cl)nc2c1C(=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 6/20 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
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL27168896 0.81 TSHR (0.39) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL30764632 0.81 TSHR (0.39) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL30059781 0.80 ALDH1A1 (0.38) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL27168855 0.80 ALDH1A1 (0.38) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL27168853 0.77 KDM4E (0.40) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL30764481 0.71 TSHR (0.39) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL13925351 0.64 TSHR (0.42) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL27168890 0.64 TSHR (0.35) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL30764525 0.64 TSHR (0.35) TSHRCYP1A2HSD17B10ALDH1A1HTT
SCHEMBL30646130 0.63 SRC (0.38) TSHRCYP1A2HSD17B10ALDH1A1HTT

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
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
CN-117263944-A Ubiquitin-specific protease 1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-12-22 CN disclosed
WO-2022233263-A1 TRICYCLIC UBIQUITIN SPECIFIC PROTEASE 1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-11-10 WO disclosed