SCHEMBL31173169

SCHEMBL31173169

Cn1c(=O)ccc2ccc(-c3csc(NC(=O)CNC(=O)c4ccn(S(C)(=O)=O)c4)n3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 2/20 0.50
▸ SMARCA4 P51532 2/20 0.50
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ TRPA1 O75762 7/20 0.40
▸ MAPT P10636 8/20 0.39
▸ LMNA P02545 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ NR2F2 P24468 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL22290278 1.00 SMARCA2 (0.50) SMARCA2SMARCA4CYP3A4CYP2C9ALDH1A1
SCHEMBL22305784 0.89 RAB9A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATRPA1
SCHEMBL22290484 0.88 SMARCA2 (0.51) SMARCA2SMARCA4CYP3A4CYP2C9ALDH1A1
SCHEMBL31173313 0.88 SMARCA2 (0.51) SMARCA2SMARCA4CYP3A4CYP2C9ALDH1A1
SCHEMBL31173245 0.86 TRPA1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATRPA1
SCHEMBL22290429 0.86 TRPA1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATRPA1
SCHEMBL22290286 0.85 SMARCA2 (0.51) SMARCA2SMARCA4CYP3A4CYP2C9ALDH1A1
SCHEMBL31173279 0.85 SMARCA2 (0.51) SMARCA2SMARCA4CYP3A4CYP2C9ALDH1A1
SCHEMBL22290309 0.82 SMARCA2 (0.56) SMARCA2SMARCA4CYP3A4CYP2C9ALDH1A1
SCHEMBL22290365 0.82 MAPT (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATRPA1

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-113645971-B Compounds and uses thereof 福宏治疗公司 2024-10-18 — — CN disclosed
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