SCHEMBL23906325

SCHEMBL23906325

CCOc1ccc(Br)c(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
LARS1 Q9P2J5 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR1 P21453 2/20 0.38
CREBBP Q92793 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL28319284 0.80 POLB (0.46) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL17142292 0.79 ALDH1A1 (0.41) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL7124026 0.78 ALDH1A1 (0.42) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL2112642 0.78 MAPT (0.45) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL29869611 0.78 MAPT (0.45) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL27736885 0.74 ALDH1A1 (0.53) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL27777942 0.73 HPGD (0.39) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL27777943 0.73 HPGD (0.39) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL29427040 0.72 L3MBTL1 (0.47) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL19412400 0.72 L3MBTL1 (0.47) ALDH1A1HPGDMAPTL3MBTL1TDP1

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-2021195782-A1 METHODS OF USING MYT1 INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-10-07 WO disclosed