SCHEMBL31455198

SCHEMBL31455198

COC(=O)C(C)C1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
JAK2 O60674 1/20 0.39
SYK P43405 1/20 0.39
FAAH O00519 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL31455244 0.87 CYP2C9 (0.43) SIGMAR1CYP2D6CYP2C9BCHEACHE
SCHEMBL31455328 0.85 DRD4 (0.44) SIGMAR1BCHEACHEJAK2SYK
SCHEMBL27227252 0.83 SIGMAR1 (0.52) SIGMAR1MAPK1BCHEACHETMEM97
SCHEMBL30802383 0.83 SIGMAR1 (0.52) SIGMAR1MAPK1BCHEACHETMEM97
SCHEMBL27226835 0.81 SIGMAR1 (0.46) SIGMAR1MAPK1TMEM97MEN1KMT2A
SCHEMBL30802389 0.81 SIGMAR1 (0.46) SIGMAR1MAPK1TMEM97MEN1KMT2A
SCHEMBL30802461 0.79 JAK2 (0.44) CYP2C9JAK2SYKFAAH
SCHEMBL27225984 0.79 JAK2 (0.44) CYP2C9JAK2SYKFAAH
SCHEMBL31455394 0.78 MAPT (0.36) JAK2SYK
SCHEMBL31455312 0.77 LTA4H (0.45) JAK2SYK

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