SCHEMBL29202211

SCHEMBL29202211

Nc1ccc2c(c1)-c1nocc1CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 5/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK14 Q16539 8/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 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
SCHEMBL14059503 0.77 KMT2A (0.47) LMNASMN1; SMN2RAB9AMAPTGAA
SCHEMBL29202241 0.72 DRD4 (0.42) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL10703573 0.71 RAB9A (0.57) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL29202242 0.70 LMNA (0.38) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4624964 0.69 — —
SCHEMBL29202189 0.69 LMNA (0.38) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL27238536 0.69 PARP1 (0.33) KMT2A
SCHEMBL1429528 0.67 MAPT (0.47) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL11253494 0.67 LMNA (0.56) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7820863 0.67 ALDH1A1 (0.68) LMNASMN1; SMN2RAB9ANPC1MAPT

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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