SCHEMBL7820599

SCHEMBL7820599

CC(=O)Nc1ccc2c(=O)c3ccccc3ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAPK14 Q16539 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
AKR1B1 P15121 2/20 0.51
ESRRA P11474 1/20 0.51
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PABPC1 P11940 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6746166 0.92 MAPT (0.62) MAOAPOLBMAPTALDH1A1HPGD
SCHEMBL6138266 0.90 MAPT (0.60) MAOAPOLBMAPTALDH1A1HPGD
SCHEMBL3952992 0.83 KMT2A (0.60) MAOAPOLBMAPTALDH1A1HPGD
SCHEMBL1176635 0.81 MEN1 (0.69) MAOAPOLBMAPTALDH1A1KMT2A
SCHEMBL8549110 0.80 RAB9A (0.62) MAOAPOLBMAPTALDH1A1KMT2A
Anthracene SCHEMBL29076817 0.80 MEN1 (0.67) MAOAPOLBMAPTALDH1A1KMT2A
SCHEMBL11620429 0.79 ALDH1A1 (0.83) MAPK14MAPTALDH1A1HPGDAKR1B1
SCHEMBL7830341 0.78 PDK1 (0.56) KMT2AMEN1CYP1A2CYP2C19
SCHEMBL3776520 0.78 KMT2A (0.65) MAOAPOLBMAPTALDH1A1KMT2A
SCHEMBL11900180 0.78 CASP6 (0.68) POLBMAPTALDH1A1HPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed