SCHEMBL29625906

SCHEMBL29625906

CS(=O)(=O)c1cc(N)ccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTGS2 P35354 1/20 0.44
MAOA P21397 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ADORA2A P29274 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL28738313 1.00 BRD4 (0.46) BRD4L3MBTL1SMN1; SMN2MAOBMEN1
SCHEMBL9178435 0.90 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8769337 0.84 POLB (0.56) BRD4L3MBTL1SMN1; SMN2MAOBMEN1
SCHEMBL29181894 0.81 MEN1 (0.58) L3MBTL1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8005449 0.78 TTR (0.61) L3MBTL1SMN1; SMN2MAOBMEN1KMT2A
SCHEMBL7995261 0.78 TTR (0.61) BRD4POLBGCK
SCHEMBL8070954 0.78 PKM (0.50) RAB9A
SCHEMBL2650962 0.78 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2POLBHTT
SCHEMBL8942128 0.77 PTGS1 (0.55) BRD4SMN1; SMN2MAOBMEN1KMT2A
SCHEMBL6712174 0.77 MAOB (0.47) BRD4SMN1; SMN2MAOBMEN1KMT2A

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-114423743-A Triazine derivatives for the treatment of diseases associated with neurotrophic factors 阿泽克制药公司 2022-04-29 CN disclosed