SCHEMBL28649670

SCHEMBL28649670

O=S1(=O)CCN(c2nc(Br)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ AR P10275 7/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30756603 0.80 RAB9A (0.51) RAB9ASMN1; SMN2ARNPC1LMNA
SCHEMBL3550824 0.79 L3MBTL1 (0.47) RAB9ASMN1; SMN2ARNPC1LMNA
SCHEMBL1168974 0.79 ALDH1A1 (0.53) RAB9ASMN1; SMN2ARNPC1LMNA
SCHEMBL28657476 0.77 AR (0.54) RAB9ASMN1; SMN2ARNPC1LMNA
SCHEMBL3435755 0.76 OGA (0.45) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2698786 0.75 NPC1 (0.60) RAB9ASMN1; SMN2ARNPC1LMNA
SCHEMBL3159092 0.75 CHRNB2 (0.42) RAB9ASMN1; SMN2ARNPC1LMNA
SCHEMBL1434351 0.72 RAB9A (0.54) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL15333499 0.71 HRH3 (0.44) RAB9ASMN1; SMN2ARLMNAMAPT
SCHEMBL21192403 0.71 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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-106478564-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-11-12 — — CN disclosed
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