SCHEMBL31455256

SCHEMBL31455256

COC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
USP30 Q70CQ3 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
TSHR P16473 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL31455427 0.79 ALDH1A1 (0.55) ALDH1A1L3MBTL1SMN1; SMN2HSD17B10TSHR
SCHEMBL23898951 0.77 KMT2A (0.51) USP30PTPN2PTPN1PTPN6NPC1
SCHEMBL23899103 0.77 KMT2A (0.51) USP30PTPN2PTPN1PTPN6NPC1
SCHEMBL7846281 0.70 F13A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2KDM4ETSHR
SCHEMBL23899061 0.70 CYP17A1 (0.54) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13014981 0.70 CA12 (0.46)
SCHEMBL941486 0.70 HPGD (0.51) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL30681937 0.70 HPGD (0.51) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL12478772 0.70 NAMPT (0.53) USP30SMN1; SMN2KDM4EPTPN2PTPN1
SCHEMBL12479648 0.70 USP30 (0.44) USP30SMN1; SMN2NPC1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed