SCHEMBL25383099

SCHEMBL25383099

O=C(Nc1ncsn1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ METAP2 P50579 1/20 0.53
▸ METAP1 P53582 1/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ GRM4 Q14833 3/20 0.48

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
SCHEMBL17028058 0.81 HDAC6 (0.61) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL25381348 0.75 GAA (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL7989152 0.73 HDAC1 (0.77) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4508472 0.73 CES2 (0.64) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL1147702 0.73 KDM4E (0.73) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL231897 0.72 KDR (0.78) NPC1RAB9ASMN1; SMN2HDAC6PKM
SCHEMBL4522324 0.72 HDAC1 (0.69) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL9384187 0.72 NPC1 (0.72) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL1422257 0.71 CES2 (0.61) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL1412816 0.71 CES2 (0.61) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165957-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 — — WO claimed
EP-4238972-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer AG (DE) 2023-09-06 — — EP claimed
WO-2023165957-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 — — WO disclosed
WO-2023165957-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 — — WO disclosed
EP-4238972-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer AG (DE) 2023-09-06 — — EP disclosed
EP-4238972-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PICOLINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer AG (DE) 2023-09-06 — — EP disclosed
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