SCHEMBL31173238

SCHEMBL31173238

Cn1ccc2ccc(-c3csc(NC(=O)CN)n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ ABL1 P00519 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ WNT3A P56704 1/20 0.44

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
SCHEMBL22290738 0.86 KMT2A (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30061115 0.86 KMT2A (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL31173144 0.86 RAB9A (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22290491 0.86 RAB9A (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22290415 0.84 RAB9A (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL31173493 0.84 RAB9A (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22289976 0.78 SMARCA2 (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30058913 0.78 SMARCA2 (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21226526 0.77 HDAC1 (0.66) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL25173996 0.77 SMARCA2 (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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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