SCHEMBL30675576

SCHEMBL30675576

O=C(CSc1nc2cnc(Cl)cc2[nH]1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ MAPT P10636 7/20 0.66
▸ MAPK1 P28482 3/20 0.66
▸ TP53 P04637 2/20 0.66
▸ LMNA P02545 3/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ POLB P06746 3/20 0.62
▸ ENPP1 P22413 10/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HTT P42858 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ GAA P10253 1/20 0.55

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
SCHEMBL20679555 1.00 ALDH1A1 (0.66) ALDH1A1MAPTMAPK1TP53LMNA
SCHEMBL20687491 0.93 ENPP1 (0.71) ALDH1A1MAPTMAPK1TP53LMNA
SCHEMBL16208427 0.85 MAPT (0.69) ALDH1A1MAPTMAPK1TP53LMNA
SCHEMBL20679584 0.83 ENPP1 (0.84) MAPTTP53LMNAENPP1MEN1
SCHEMBL30675559 0.83 ENPP1 (0.84) MAPTTP53LMNAENPP1MEN1
SCHEMBL20679534 0.81 ENPP1 (0.85) LMNAENPP1
SCHEMBL30675624 0.81 ENPP1 (0.85) LMNAENPP1
SCHEMBL20679573 0.81 ENPP1 (0.85) ALDH1A1MAPTTP53USP2POLB
SCHEMBL30675623 0.81 ENPP1 (0.85) ALDH1A1MAPTTP53USP2POLB
SCHEMBL20687583 0.80 ENPP1 (0.86) ENPP1

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-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 — — CN disclosed
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