SCHEMBL31455360

SCHEMBL31455360

CC(C)(C)OC(=O)N1CCC(C#Cc2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GPR119 Q8TDV5 11/20 0.44
▸ DPP4 P27487 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ ALDH2 P05091 1/20 0.38

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
SCHEMBL16973168 0.79 ALDH1A1 (0.51) MAPTALDH1A1LMNAGPR119
SCHEMBL15322640 0.79 ALDH1A1 (0.44) MAPTALDH1A1LMNA
SCHEMBL10035920 0.78 ALDH1A1 (0.56) MAPTALDH1A1LMNAGPR119THRB
SCHEMBL31216608 0.78 GPR119 (0.64) MAPTALDH1A1LMNAGPR119
SCHEMBL2255441 0.78 GPR119 (0.64) MAPTALDH1A1LMNAGPR119
SCHEMBL31216598 0.78 GPR119 (0.64) MAPTALDH1A1LMNAGPR119
SCHEMBL29554755 0.78 ALDH1A1 (0.56) MAPTALDH1A1LMNAGPR119THRB
SCHEMBL31043946 0.78 LMNA (0.52) MAPTALDH1A1LMNAGPR119DPP4
SCHEMBL23783010 0.77 MAPT (0.54) MAPTALDH1A1LMNAGPR119DPP4
SCHEMBL23783425 0.77 PTPN2 (0.54) MAPTALDH1A1LMNAPTPN2PTPN1

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
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