SCHEMBL24865263

SCHEMBL24865263

C=CCc1ccc(N(c2ccc(NCC)cc2)c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 3/20 0.33
GAA P10253 2/20 0.33
CNR2 P34972 1/20 0.33
MCL1 Q07820 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6776537 0.78 MAPT (0.46) ALDH1A1MAPTNPC1RAB9ATHRB
SCHEMBL2161480 0.78 CYP1A2 (0.45) ALDH1A1MAPTL3MBTL1THRBCYP1A2
SCHEMBL9222045 0.75 CYP1A2 (0.42) ALDH1A1MAPTL3MBTL1THRBCYP1A2
SCHEMBL9332401 0.74 CYP1A2 (0.41) ALDH1A1MAPTL3MBTL1THRBCYP1A2
SCHEMBL7777353 0.74 CYP1A2 (0.41) ALDH1A1MAPTL3MBTL1THRBCYP1A2
SCHEMBL9551141 0.71 CA12 (0.51) ALDH1A1MAPTNPC1RAB9ATHRB
SCHEMBL1274360 0.70 MAPT (0.48) MAPTNPC1RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL11298920 0.70 CA12 (0.50) ALDH1A1MAPTNPC1RAB9ATHRB
SCHEMBL11774737 0.68 CYP1A2 (0.41) ALDH1A1MAPTNPC1RAB9ATHRB
SCHEMBL18104282 0.67 CNR2 (0.48) ALDH1A1MAPTCYP1A2CYP2D6MAPK1

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-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed