SCHEMBL25804451

SCHEMBL25804451

CCOC(=O)CCN1CCCc2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.49
SMAD3 P84022 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
REN P00797 1/20 0.45
CYP3A4 P08684 1/20 0.45
TNF P01375 4/20 0.44
CHRM2 P08172 8/20 0.43
CHRM4 P08173 8/20 0.43
CHRM1 P11229 8/20 0.43

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
SCHEMBL25804434 0.88 CHRM2 (0.50) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL25804442 0.88 REN (0.53) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL21331595 0.83 CHRM2 (0.62) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL25804482 0.81 HSD17B10 (0.48) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL24006724 0.80 TNF (0.51) MAPTALDH1A1LMNAGAACASP1
SCHEMBL5940049 0.79 HDAC1 (0.46) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL8809305 0.79 KDM4E (0.58) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL5940318 0.78 HDAC1 (0.45) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL27799216 0.78 MEN1 (0.48) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL25804425 0.78 CHRM2 (0.49) MAPTKDM4EMEN1ALDH1A1LMNA

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
EP-2877628-B1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN TEXTILE EFFECTS SWITZERLAND GMBH (CH) 2023-07-12 EP disclosed