SCHEMBL25813282

SCHEMBL25813282

CCc1cc2ccc3sc4ccccc4c3c2c2c1sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 6/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
DUSP3 P51452 1/20 0.37
BLM P54132 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 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
SCHEMBL25812743 0.81 MAPT (0.42) L3MBTL1ATMMAPTRAB9AALDH1A1
SCHEMBL24172204 0.78 MAPT (0.40) L3MBTL1ATMMAPTRAB9AALDH1A1
SCHEMBL22013005 0.78 MAPT (0.39) L3MBTL1ATMMAPTRAB9AALDH1A1
SCHEMBL24614734 0.78 PTPN1 (0.42) L3MBTL1ATMMAPTRAB9AALDH1A1
SCHEMBL22011437 0.78 GPR3 (0.39) L3MBTL1ATMMAPTRAB9AALDH1A1
SCHEMBL24172203 0.77 MAPT (0.36) L3MBTL1ATMMAPTRAB9AALDH1A1
SCHEMBL22011950 0.76 GPR3 (0.48) MAPTRAB9AALDH1A1NPC1HPGD
SCHEMBL30899154 0.76 GPR3 (0.56) L3MBTL1MAPTRAB9AALDH1A1NPC1
SCHEMBL30899153 0.76 GPR3 (0.56) L3MBTL1MAPTRAB9AALDH1A1NPC1
SCHEMBL19109232 0.76 GPR3 (0.56) L3MBTL1MAPTRAB9AALDH1A1NPC1

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-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed