SCHEMBL31455409

SCHEMBL31455409

COC(=O)C1CCN(C(=O)Nc2ccc(N)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
TSHR P16473 2/20 0.59
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
HPGD P15428 2/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4C Q9H3R0 1/20 0.49

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
SCHEMBL31455177 0.92 ALDH1A1 (0.64) ALDH1A1TSHRKMT2AHTTTDP1
SCHEMBL31455212 0.82 ALDH1A1 (0.68) ALDH1A1TSHRKMT2AHTTTDP1
SCHEMBL3660045 0.80 TSHR (0.69) ALDH1A1TSHRKMT2APOLBGAA
SCHEMBL31455427 0.80 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AHTTL3MBTL1
SCHEMBL28363727 0.79 TDP1 (0.83) ALDH1A1TSHRKMT2AHTTTDP1
SCHEMBL31455366 0.78 ALDH1A1 (0.61) ALDH1A1TSHRKMT2AHTTTDP1
SCHEMBL25281317 0.77 RAB9A (0.62) ALDH1A1KMT2AHTTL3MBTL1MAPT
SCHEMBL1633763 0.77 RAB9A (0.67) ALDH1A1KMT2AHTTL3MBTL1POLB
SCHEMBL16611364 0.77 MAPT (0.66) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL3568415 0.76 KDM4E (0.67) ALDH1A1TSHRKMT2ATDP1KDM4E

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