SCHEMBL28199522

SCHEMBL28199522

Cc1cccc(C(=O)c2ccccc2)c1C.Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 3/20 0.50
THRB P10828 3/20 0.50
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
HBB P68871 1/20 0.50

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
SCHEMBL8770405 0.78 MAPT (0.74) MAOAMAOBMAPTALDH1A1MAPK1
SCHEMBL287915 0.76 AKR1C3 (0.55) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28367022 0.76 TTR (0.53) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL308358 0.75 ALDH1A1 (0.71) MAPTALDH1A1MAPK1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27432168 0.75 AKR1C3 (0.53) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8931072 0.75 MAPT (0.50) MAOAMAOBMAPTALDH1A1MAPK1
SCHEMBL487001 0.75 MAOA (1.00) MAOAMAOBMAPTALDH1A1MAPK1
SCHEMBL30129869 0.75 MAOA (1.00) MAOAMAOBMAPTALDH1A1MAPK1
SCHEMBL11742792 0.74 MAOA (0.57) MAOAMAOBMAPTALDH1A1MAPK1
SCHEMBL11518209 0.74 ALDH1A1 (0.49) MAOAMAOBMAPTALDH1A1MAPK1

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-107709462-A Dimer-containing polyamide resin and resin composition thereof 日本化药株式会社 2018-02-16 CN disclosed