SCHEMBL8797776

SCHEMBL8797776

Cc1ccccc1CC(=O)Nc1ncccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 4/20 0.50
DHODH Q02127 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
P2RX7 Q99572 1/20 0.47
MAPK8 P45983 1/20 0.47
ATM Q13315 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
CLCN2 P51788 1/20 0.46

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
SCHEMBL1307479 0.84 MEN1 (0.54) KMT2ADHODHNPC1RAB9AMEN1
SCHEMBL8798215 0.84 DHODH (0.50) KMT2AL3MBTL1HTTDHODHLMNA
SCHEMBL18640723 0.82 MEN1 (0.60) KMT2AL3MBTL1POLBHTTDHODH
SCHEMBL8800517 0.79 KMT2A (0.67) KMT2AL3MBTL1POLBHTTDHODH
SCHEMBL10844635 0.79 KMT2A (0.66) KMT2AL3MBTL1POLBHTTLMNA
SCHEMBL13789621 0.79 DHODH (0.55) KMT2AL3MBTL1HTTDHODHLMNA
SCHEMBL27907868 0.78 KMT2A (0.55) KMT2AL3MBTL1HTTNPC1RAB9A
SCHEMBL19595250 0.77 RAB9A (0.48) KMT2AL3MBTL1HTTGAANPC1
SCHEMBL8604699 0.76 DHODH (0.64) KMT2AL3MBTL1HTTDHODHLMNA
SCHEMBL31439510 0.76 DHODH (0.55) KMT2AL3MBTL1HTTDHODHLMNA

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-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed