SCHEMBL24662913

SCHEMBL24662913

CC(C)c1ccc(-c2cc(N)cc3c2OC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
DGAT1 O75907 1/20 0.36
LMNA P02545 4/20 0.35
GAA P10253 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRF1 P14222 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
TNKS O95271 1/20 0.32

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
SCHEMBL23363866 0.85 DGAT1 (0.35) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL24847356 0.73 KDM4E (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28865246 0.70 ALDH1A1 (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL26521949 0.69 XDH (0.35) MAPTMEN1KMT2ADGAT1LMNA
SCHEMBL1406553 0.68 ALDH1A1 (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL23363777 0.68 HTR2A (0.38) ALDH1A1DGAT1GAAHTTALOX12
Hydrochloric Acid SCHEMBL6572000 0.67 ALDH1A1 (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL30363994 0.66 DYRK1A (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25063986 0.66 DYRK1A (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL26522362 0.66 SLC5A2 (0.38) NPC1RAB9AALDH1A1KDM4EDGAT1

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-2022246459-A1 COMBINATION THERAPY GENENTECH, INC. (US) 2022-11-24 WO disclosed