SCHEMBL8797491

SCHEMBL8797491

CN1C(=O)c2ccccc2C(C(=O)O)c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8797684 0.80 LPAR1 (0.43) MEN1KMT2ASMN1; SMN2NR1H2NR1H3
SCHEMBL14124766 0.77 EDNRB (0.50) EDNRBEDNRAALDH1A1POLBCYP1A2
SCHEMBL2989515 0.70 HDAC4 (0.66) MEN1KMT2AEDNRASMN1; SMN2LMNA
SCHEMBL31613807 0.70 HDAC4 (0.66) MEN1KMT2AEDNRASMN1; SMN2LMNA
SCHEMBL11789597 0.69 SCN2A (0.44) MEN1KMT2AEDNRBEDNRAALDH1A1
Hydrochloric Acid SCHEMBL2982836 0.69 HDAC4 (0.64) MEN1KMT2AEDNRASMN1; SMN2LMNA
SCHEMBL14124713 0.69 EDNRB (0.47) MEN1KMT2AEDNRBEDNRAALDH1A1
SCHEMBL40500 0.68 HDAC3 (0.59) MEN1KMT2AEDNRBEDNRAPOLB
Benzene SCHEMBL28538497 0.68 HDAC3 (0.59) MEN1KMT2AEDNRBEDNRAPOLB
SCHEMBL30001332 0.68 HDAC3 (0.59) MEN1KMT2AEDNRBEDNRAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed