SCHEMBL29912312

SCHEMBL29912312

O=Cc1c(F)cccc1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.39
▸ NFE2L2 Q16236 10/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ERN1 O75460 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ RIN1 Q13671 1/20 0.35

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
SCHEMBL2687037 1.00 SLC40A1 (0.39) SLC40A1NFE2L2RAB9ASMN1; SMN2LMNA
SCHEMBL27854216 0.82 LMNA (0.43) NFE2L2RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL29117972 0.82 TDP2 (0.41) SLC40A1NFE2L2RAB9ASMN1; SMN2LMNA
SCHEMBL14840705 0.76 ERN1 (0.45) NFE2L2RAB9ASMN1; SMN2LMNAERN1
SCHEMBL29118036 0.75 CYP1A2 (0.46) SLC40A1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL95708 0.75 ERN1 (0.50) NFE2L2LMNAERN1IKBKBCES1
SCHEMBL6270187 0.74 CCNE2 (0.41) NPC1CES1
SCHEMBL29912323 0.74 NFE2L2 (0.42) NFE2L2RAB9ASMN1; SMN2ERN1NPC1
SCHEMBL17597905 0.74 NFE2L2 (0.42) NFE2L2RAB9ASMN1; SMN2ERN1NPC1
SCHEMBL31517695 0.73 NPC1 (0.46) RAB9ASMN1; SMN2L3MBTL1NPC1

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
CN-119866339-A Free base crystalline forms of nitrogen-containing heterocyclic polycyclic compounds and methods of making the same 江苏豪森药业集团有限公司 2025-04-22 — — CN claimed
CN-117700416-A Salts of polycyclic compounds containing nitrogen heterocycles and process for preparing the same 江苏豪森药业集团有限公司 2024-03-15 — — CN claimed
CN-119866339-A Free base crystalline forms of nitrogen-containing heterocyclic polycyclic compounds and methods of making the same 江苏豪森药业集团有限公司 2025-04-22 — — CN disclosed
CN-117700416-A Salts of polycyclic compounds containing nitrogen heterocycles and process for preparing the same 江苏豪森药业集团有限公司 2024-03-15 — — CN disclosed
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 — — CN disclosed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 — — CN disclosed
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