SCHEMBL29612527

SCHEMBL29612527

Cn1cc2cc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
MITF O75030 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL23063484 0.81 KDM4E (0.44) MAPTPOLBALDH1A1MAOAMAOB
SCHEMBL23063016 0.81 GCK (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23042415 0.78 HTT (0.43) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL23042410 0.78 HDAC1 (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL29612543 0.78 HDAC1 (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL23042452 0.77 L3MBTL1 (0.45) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL23042417 0.76 MEN1 (0.41) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL654958 0.76 MAPT (0.77) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL23042589 0.76 NPC1 (0.38) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL29729458 0.76 NPC1 (0.38) MAPTALDH1A1NPC1RAB9AMEN1

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-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed