SCHEMBL23400552

SCHEMBL23400552

COc1ccc(-n2cc(O)c(C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
CNR1 P21554 3/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
P2RX7 Q99572 1/20 0.46
ADORA3 P0DMS8 4/20 0.46
LMNA P02545 1/20 0.45
CNR2 P34972 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MAPKAPK2 P49137 2/20 0.44
MIF P14174 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28702539 0.84 P2RX7 (0.47) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL23402828 0.82 NPC1 (0.54) RAB9ACNR1MEN1NPC1KMT2A
SCHEMBL23402266 0.81 P2RX7 (0.47) RAB9ACNR1MEN1NPC1KMT2A
SCHEMBL27191952 0.80 ADORA3 (0.47) RAB9ACNR1MEN1NPC1KMT2A
SCHEMBL23400080 0.79 MIF (0.44) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL23400147 0.79 RAB9A (0.52) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL23399534 0.79 CNR1 (0.60) RAB9ACNR1MEN1NPC1KMT2A
SCHEMBL8688598 0.78 MAPT (0.55) RAB9ACNR1MEN1NPC1KMT2A
SCHEMBL6052367 0.78 L3MBTL1 (0.63) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL23402712 0.76 RAB9A (0.50) RAB9AMEN1NPC1KMT2AKDM4E

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed