SCHEMBL8509187

SCHEMBL8509187

CNC(=O)[C@H](C)Nc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ TP53 P04637 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43

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
SCHEMBL8509186 1.00 RAB9A (0.53) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL29350028 0.85 RAB9A (0.54) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL288854 0.85 RAB9A (0.54) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL29478375 0.85 RAB9A (0.54) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL43518 0.85 RAB9A (0.54) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL43517 0.85 RAB9A (0.54) RAB9ASMN1; SMN2GAAMAPTLMNA
Hydrochloric Acid SCHEMBL2351803 0.83 RAB9A (0.53) RAB9ASMN1; SMN2GAAMAPTLMNA
Hydrochloric Acid SCHEMBL2351807 0.83 RAB9A (0.53) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL4299166 0.83 RAB9A (0.47) RAB9ASMN1; SMN2GAAMAPTLMNA
SCHEMBL454293 0.82 RECQL (0.58) RAB9ASMN1; SMN2GAAMAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955435-A Peptidyl compounds having MMP and TNF inhibitory activity DARWIN DISCOVERY LIMITED (GB) 1999-09-21 — — US disclosed
EP-0925281-A1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 1999-06-30 — — EP disclosed
WO-1998006696-A1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-19 — — WO disclosed
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