SCHEMBL24774071

SCHEMBL24774071

COCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NI)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ HTT P42858 2/20 0.39
▸ KLK7 P49862 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FPR2 P25090 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL18494908 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL19633842 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25680269 0.80 GAA (0.44) SMN1; SMN2NPC1RAB9AGAAHPGD
SCHEMBL25064825 0.79 HDAC2 (0.46) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL21229646 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL23054326 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20258440 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL25124522 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL18499692 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23054325 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289851-A1 CAMPTOTHECIN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-12-13 — — EP disclosed
WO-2022253033-A1 CHEMICAL COUPLING LINKER AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-12-08 — — WO disclosed
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