SCHEMBL31455471

SCHEMBL31455471

COC(=O)[C@H]1CC[C@@H](CBr)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
HTT P42858 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2348997 1.00 TP53 (0.43) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL6616808 1.00 TP53 (0.43) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL1660434 0.88 CHRNB2 (0.40) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL1660432 0.88 CHRNB2 (0.40) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL15200264 0.83 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL5543322 0.83 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL17118123 0.83 TP53 (0.46) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL14305169 0.83 TP53 (0.46) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL358775 0.83 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2PPM1B
SCHEMBL244740 0.82

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