SCHEMBL29344256

SCHEMBL29344256

ClOc1ccccc1C1Nc2ccccc2S1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
IDO1 P14902 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLA P06280 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL20114413 1.00 RAB9A (0.48) RAB9AIDO1L3MBTL1GAAKDM4E
SCHEMBL19055937 0.84 RAB9A (0.48) RAB9AIDO1L3MBTL1GAAKDM4E
SCHEMBL2528236 0.76 KDM4E (0.45) RAB9AIDO1L3MBTL1GAAKDM4E
SCHEMBL27904252 0.75 RAB9A (0.51) RAB9AIDO1L3MBTL1GAAALDH1A1
SCHEMBL14299538 0.75 RAB9A (0.68) RAB9AIDO1L3MBTL1GAAKDM4E
SCHEMBL16639031 0.75 RAB9A (0.51) RAB9AIDO1KDM4EALDH1A1MAPT
SCHEMBL4907179 0.73 RAB9A (0.66) RAB9AIDO1L3MBTL1GAAKDM4E
SCHEMBL11754085 0.72 RAB9A (0.49) RAB9AIDO1L3MBTL1GAAKDM4E
SCHEMBL434104 0.70 IDO1 (0.53) RAB9AIDO1GAAKDM4EALDH1A1
SCHEMBL11755029 0.69 RAB9A (0.46) RAB9AIDO1L3MBTL1GAAKDM4E

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
EP-3696179-B1 COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER, AN ORGANIC ELECTRONIC DEVICE AND A DISPLAY OR LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2024-07-17 EP disclosed