SCHEMBL29202189

SCHEMBL29202189

Nc1ccc2c(c1)-c1nn(C3CC3)cc1CO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK14 Q16539 9/20 0.36
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BRAF P15056 3/20 0.32
▸ MET P08581 1/20 0.31
▸ GRK2 P25098 1/20 0.31
▸ GRK5 P34947 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ MAPK3 P27361 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ OGA O60502 1/20 0.30

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 0.80 DRD4 (0.42) LMNANPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL29202242 0.77 LMNA (0.38) LMNANPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL29202211 0.69 LMNA (0.43) LMNANPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL10703573 0.66 RAB9A (0.57) LMNANPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL25429526 0.64 HDAC1 (0.31) BRAF
SCHEMBL4624964 0.64 — —
SCHEMBL29202265 0.63 MEN1 (0.45) LMNANPC1RAB9ASMN1; SMN2GAA
SCHEMBL1429528 0.62 MAPT (0.47) LMNANPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL11253494 0.61 LMNA (0.56) LMNANPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL7820863 0.61 ALDH1A1 (0.68) LMNANPC1RAB9ASMN1; SMN2MAPK14

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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