SCHEMBL29948972

SCHEMBL29948972

O=C(c1ccccc1)c1ccc2ncoc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
CTNNB1 P35222 3/20 0.55
WNT3A P56704 3/20 0.55
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52
HPGD P15428 4/20 0.51
HTT P42858 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL11327470 0.87 CTNNB1 (0.71) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
Benzophenone SCHEMBL28172551 0.85 CTNNB1 (0.55) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
SCHEMBL3492945 0.83 TAS1R3 (0.54) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
Ammonia Solution, Strong SCHEMBL20898199 0.81 TAS1R3 (0.52) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
SCHEMBL29433273 0.79 ALDH1A1 (0.61) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
SCHEMBL21129477 0.78 TAS1R3 (0.56) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
SCHEMBL5783191 0.78 TAS1R3 (0.52) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
SCHEMBL3874562 0.76 NPC1 (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL20897520 0.75 TAS1R3 (0.47) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A
SCHEMBL11989349 0.74 TAS1R3 (0.59) RAB9ASMN1; SMN2NPC1CTNNB1WNT3A

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-4031134-A1 METHODS OF TREATMENT AND/OR PREVENTION OF DISORDERS AND SYMPTOMS RELATED TO BKCA AND/OR SK CHANNELOPHATHIES UNIVERSITE DE BORDEAUX (FR) 2022-07-27 EP disclosed