SCHEMBL24445598

SCHEMBL24445598

C[SH]1(C)(C)c2cc(N3CCCCC3)ccc2Nc2ccc(N3CCCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
ALOX15 P16050 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HSD17B10 Q99714 3/20 0.42
S100B P04271 2/20 0.41
TERT O14746 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 4/20 0.39
IP6K1 Q92551 2/20 0.39
HPGD P15428 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16285333 0.72 ALDH1A1 (0.53) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL5724663 0.72 ALDH1A1 (0.47) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL11886393 0.70 MAPT (0.44) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL15909170 0.67 SNCA (0.42) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL6283250 0.67 CASP3 (0.57) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL6887590 0.66 ALDH1A1 (0.71) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL31606171 0.66 MAPT (0.41) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL9098720 0.66 GAA (0.57) MEN1KMT2AGAATDP1PDE3B
SCHEMBL8390975 0.65 ADRB1 (0.66) ALDH1A1MAPTMEN1ALOX15KMT2A
SCHEMBL22818552 0.65 ADRB1 (0.66) ALDH1A1MAPTMEN1ALOX15KMT2A

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-4001285-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS ORTA DOGU TEKNIK UNIVERSITESI (TR) 2022-05-25 EP disclosed