SCHEMBL28348703

SCHEMBL28348703

CCc1ccc(-c2ccc3c(Br)csc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MTNR1A P48039 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
UCHL1 P09936 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
SCHEMBL28352047 0.83 RARB (0.43) RAB9AMAPTALDH1A1HSD17B10LMNA
SCHEMBL28351962 0.82 HSD17B10 (0.46) RAB9AGAAMAPTALDH1A1HSD17B10
SCHEMBL28348159 0.82 HSD17B10 (0.46) RAB9AGAAMAPTALDH1A1HSD17B10
SCHEMBL28882110 0.82 HSD17B10 (0.46) RAB9AGAAMAPTALDH1A1HSD17B10
SCHEMBL28351533 0.82 HSD17B10 (0.46) RAB9AGAAMAPTALDH1A1HSD17B10
SCHEMBL28348375 0.82 HSD17B10 (0.46) RAB9AGAAMAPTALDH1A1HSD17B10
SCHEMBL28351925 0.79 ALDH1A1 (0.41) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL28348126 0.74 NPC1 (0.38) RAB9ANPC1MAPTALDH1A1HSD17B10
SCHEMBL13525448 0.74 LIMK1 (0.43) RAB9ANPC1PIM1PIM3PIM2
SCHEMBL18123042 0.70 ALDH1A1 (0.47) RAB9AMAPTALDH1A1PIM1PIM3

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
CN-110734452-A semiconductor materials, and preparation method and application thereof 北京大学深圳研究生院 2020-01-31 CN disclosed