SCHEMBL31455362

SCHEMBL31455362

COC(=O)C1CCN(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.39
TRPV1 Q8NER1 2/20 0.38
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
HSD17B10 Q99714 2/20 0.36
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL31455342 0.89 ALDH1A1 (0.57) ALDH1A1MAPTTDP1TRPV1MEN1
SCHEMBL31455017 0.87 ALDH1A1 (0.48) ALDH1A1TDP1TRPV1OPRM1MEN1
SCHEMBL31455642 0.84 ALDH1A1 (0.50) ALDH1A1MAPTTDP1TRPV1MEN1
SCHEMBL31455545 0.78 ABCG2 (0.41) MAPTMEN1KMT2ASMN1; SMN2ABCG2
SCHEMBL31455361 0.78 ADORA1 (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31455449 0.76 GSK3B (0.39) ALDH1A1MAPTTDP1SMN1; SMN2NPC1
SCHEMBL31455312 0.76 LTA4H (0.45) ABCG2
SCHEMBL31455719 0.75 ABCG2 (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31455366 0.75 ALDH1A1 (0.61) ALDH1A1MAPTTDP1TRPV1MEN1
SCHEMBL31455427 0.71 ALDH1A1 (0.55) ALDH1A1MAPTOPRM1MEN1KMT2A

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