SCHEMBL31455342

SCHEMBL31455342

COC(=O)C1CCN(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TRPV1 Q8NER1 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
FAAH O00519 1/20 0.41
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL31455642 0.95 ALDH1A1 (0.50) ALDH1A1TRPV1TDP1MAPTKMT2A
SCHEMBL31455362 0.89 ALDH1A1 (0.46) ALDH1A1TRPV1TDP1MAPTKMT2A
SCHEMBL31455366 0.85 ALDH1A1 (0.61) ALDH1A1TRPV1TDP1MAPTKMT2A
SCHEMBL31455312 0.82 LTA4H (0.45)
SCHEMBL31455623 0.80 ALDH1A1 (0.53) ALDH1A1TRPV1TDP1MAPTKMT2A
SCHEMBL31455394 0.80 MAPT (0.36) ALDH1A1TDP1MAPTHPGDHSD17B10
SCHEMBL31455425 0.79 GSK3B (0.36) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL31455361 0.78 ADORA1 (0.40) MAPTKMT2AHTTLMNAMEN1
SCHEMBL25384573 0.76 ABCG2 (0.54) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL31454989 0.76 ABCG2 (0.54) ALDH1A1MAPTKMT2AKDM4EMEN1

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