SCHEMBL31455366

SCHEMBL31455366

COC(=O)C1CCN(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3N)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL31455623 0.94 ALDH1A1 (0.53) ALDH1A1KDM4EHDAC1HDAC2TDP1
SCHEMBL31455017 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EHDAC1HDAC2TDP1
SCHEMBL31455342 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1MAPTTSHR
SCHEMBL31455090 0.81 LTA4H (0.47) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL31455642 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAPTTSHR
SCHEMBL31455409 0.78 ALDH1A1 (0.75) ALDH1A1KDM4ETDP1MAPTTSHR
SCHEMBL31455172 0.77 LTA4H (0.36) ALDH1A1HDAC1HDAC2TDP1MAPT
SCHEMBL31455364 0.75 ADORA1 (0.42) HDAC1HDAC2MAPTKMT2AHTT
SCHEMBL25385310 0.74 ABCG2 (0.61) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL31455169 0.74 ABCG2 (0.61) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2

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