SCHEMBL25328215

SCHEMBL25328215

COc1cccc(-c2cc(O)n(-c3nc(-c4ccccc4)cs3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 4/20 0.54
LMNA P02545 4/20 0.54
HPGD P15428 2/20 0.54
MMP2 P08253 3/20 0.54
MMP8 P22894 3/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 2/20 0.50
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
MAPK1 P28482 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL25328345 0.94 MMP2 (0.54) MAPTALDH1A1HSD17B10LMNAHPGD
SCHEMBL28911459 0.87 MAPT (0.55) MAPTALDH1A1HSD17B10LMNAHPGD
SCHEMBL30118314 0.87 MAPT (0.55) MAPTALDH1A1HSD17B10LMNAHPGD
SCHEMBL25329191 0.87 RAB9A (0.59) MAPTALDH1A1HSD17B10LMNAMMP2
SCHEMBL25916900 0.84 RAB9A (0.54) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL25917129 0.82 KMT2A (0.53) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL25916891 0.80 RAB9A (0.55) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL12297713 0.78 RAB9A (0.75) MAPTALDH1A1HSD17B10LMNAMEN1
SCHEMBL25917077 0.78 MAPT (0.47) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL25917143 0.78 RAB9A (0.48) MAPTALDH1A1HPGDMEN1KMT2A

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-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed