SCHEMBL31207176

SCHEMBL31207176

O=C(Cc1ccc(-c2ccccn2)cc1)Nc1nccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.64
▸ WNT3A P56704 3/20 0.61
▸ ROCK2 O75116 1/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ LMNA P02545 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ METAP2 P50579 1/20 0.52
▸ METAP1 P53582 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TP53 P04637 1/20 0.51

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
SCHEMBL4687548 0.84 FFAR2 (0.74) FFAR2ROCK2ROCK1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29855979 0.83 FFAR2 (0.72) FFAR2ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL14082184 0.81 NPC1 (0.74) LMNASMN1; SMN2POLBNPC1RAB9A
SCHEMBL31207234 0.80 CCNE1 (0.77) WNT3ASMN1; SMN2ALDH1A1MEN1SLC6A2
SCHEMBL31207127 0.80 WNT3A (0.57) WNT3ALMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL29911992 0.79 ALDH1A1 (0.65) FFAR2LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL1177357 0.77 WNT3A (0.54) WNT3APOLBNPC1RAB9AMEN1
SCHEMBL31206994 0.77 CCNE1 (0.73) WNT3ASMN1; SMN2ALDH1A1MEN1SLC6A2
SCHEMBL1726119 0.76 WNT3A (1.00) WNT3AROCK1ALDH1A1POLBMEN1
SCHEMBL17311599 0.76 ROCK1 (1.00) FFAR2ROCK2ROCK1

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-118955493-A Novel CCNK molecular gel degradation agent, preparation method thereof and application thereof as medicine 广东药科大学 2024-11-15 — — CN disclosed
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