SCHEMBL30675627

SCHEMBL30675627

Cc1cncc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.60
▸ GAA P10253 3/20 0.60
▸ ALDH1A1 P00352 12/20 0.60
▸ MAPT P10636 10/20 0.60
▸ POLB P06746 3/20 0.60
▸ MAPK1 P28482 3/20 0.58
▸ TP53 P04637 3/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ USP2 O75604 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL20679542 1.00 LMNA (0.60) LMNAGAAALDH1A1MAPTPOLB
SCHEMBL20687580 0.85 MAPT (0.63) LMNAGAAALDH1A1MAPTPOLB
SCHEMBL20679541 0.81 ENPP1 (0.68) TSHR
SCHEMBL30675580 0.81 ENPP1 (0.68) TSHR
SCHEMBL20679610 0.79 ENPP1 (0.65) —
SCHEMBL20679547 0.79 ENPP1 (0.65) —
SCHEMBL16208427 0.78 MAPT (0.69) LMNAGAAALDH1A1MAPTPOLB
SCHEMBL20679555 0.77 ALDH1A1 (0.66) LMNAGAAALDH1A1MAPTPOLB
SCHEMBL20687491 0.77 ENPP1 (0.71) LMNAALDH1A1MAPTPOLBMAPK1
SCHEMBL30675576 0.77 ALDH1A1 (0.66) LMNAGAAALDH1A1MAPTPOLB

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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