SCHEMBL31455177

SCHEMBL31455177

COC(=O)C1CCN(C(=O)Nc2ccc(N)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL31455409 0.92 ALDH1A1 (0.75) ALDH1A1TSHRHTTKDM4EKMT2A
SCHEMBL31455191 0.83 GAA (0.61) ALDH1A1TSHRHTTKMT2AGAA
SCHEMBL31455623 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHTTKDM4EKMT2A
SCHEMBL14711368 0.75 MAPT (0.56) KDM4EKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL14712096 0.75 MAPT (0.56) KDM4EKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL3660045 0.75 TSHR (0.69) ALDH1A1TSHRKMT2AGAACYP1A2
SCHEMBL31455212 0.74 ALDH1A1 (0.68) ALDH1A1TSHRHTTKMT2ATDP1
SCHEMBL13559990 0.74 SMN1; SMN2 (0.56) ALDH1A1TSHRHTTGAASMN1; SMN2
SCHEMBL31455463 0.73 LTA4H (0.56) ALDH1A1HTTSMN1; SMN2
SCHEMBL31455427 0.73 ALDH1A1 (0.55) ALDH1A1TSHRHTTKMT2AGAA

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