SCHEMBL29202242

SCHEMBL29202242

CC(C)n1cc2c(n1)-c1cc(N)ccc1OC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ PIK3CA P42336 3/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ HCK P08631 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ EPHB4 P54760 2/20 0.33
▸ PRKDC P78527 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ MAPK14 Q16539 4/20 0.32

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
SCHEMBL29202241 0.83 DRD4 (0.42) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29202189 0.77 LMNA (0.38) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29202211 0.70 LMNA (0.43) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4624964 0.68 — —
SCHEMBL29202265 0.67 MEN1 (0.45) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10703573 0.66 RAB9A (0.57) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1429528 0.62 MAPT (0.47) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11253494 0.62 LMNA (0.56) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29190597 0.62 KDM4E (0.61) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7820863 0.62 ALDH1A1 (0.68) LMNASMN1; SMN2NPC1RAB9AMAPT

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-117964639-A Pyridazine compound containing benzo heterocyclic structure, pharmaceutical composition and application thereof 中国药科大学 2024-05-03 — — CN disclosed
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