SCHEMBL21765684

SCHEMBL21765684

O=C(CBr)N1CCCN(C(=O)CBr)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.39
DPP4 P27487 1/20 0.38
BPTF Q12830 1/20 0.38
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL20129907 1.00
SCHEMBL1037993 0.94
SCHEMBL772021 0.92 ATM (0.54) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL21765685 0.92 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL8149192 0.88 ALDH1A1 (0.62) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL27155224 0.88 ALDH1A1 (0.62) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL2110436 0.79 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL25246073 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL7469848 0.77 TDP1 (0.52) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL8343658 0.77 CA2 (0.48) ALDH1A1TDP1MEN1KMT2AHPGD

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed