SCHEMBL19995475

SCHEMBL19995475

COC(=O)c1ccc(N2CCN(C(=O)O)C(C)(C)C2=O)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL19995461 0.86 PIK3CD (0.38) PIK3CDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL19995492 0.81 SMN1; SMN2 (0.41) PIK3CDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18096385 0.68 CRBN (0.42) PIK3CDMAPTKMT2AMEN1
SCHEMBL18096372 0.65 RAB9A (0.44) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL14686907 0.65 PIK3C3 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4770167 0.64 GABRP (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL21041119 0.64 NNMT (0.69) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL12500156 0.63 NPC1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL28105678 0.63 NPC1 (0.47) PIK3CDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14687339 0.63 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT

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
WO-2018057588-A1 FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-29 — — WO disclosed
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