SCHEMBL7925191

SCHEMBL7925191

FC(F)(F)c1cccc(C(=CCBr)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
MAOB P27338 1/20 0.48
TBXAS1 P24557 1/20 0.47
LMNA P02545 2/20 0.47
SRD5A2 P31213 1/20 0.45
KCNK3 O14649 1/20 0.44
KAT6A Q92794 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
VNN1 O95497 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7925187 1.00 CES2 (0.49) CES2MAOBTBXAS1LMNASRD5A2
SCHEMBL7535000 0.79 MTNR1A (0.47) CES2TBXAS1ALDH1A1
SCHEMBL7917569 0.78 GSK3B (0.53) CES2MAOBSRD5A2
SCHEMBL7928744 0.77 TBXAS1 (0.42) CES2MAOBTBXAS1LMNASRD5A2
SCHEMBL7928743 0.77 TBXAS1 (0.42) CES2MAOBTBXAS1LMNASRD5A2
SCHEMBL7923784 0.76 SMN1; SMN2 (0.45) KCNK3MEN1KMT2APOLB
SCHEMBL7923651 0.76 ERCC5 (0.42) MAOBKCNK3MEN1KMT2A
SCHEMBL7923653 0.76 ERCC5 (0.42) MAOBKCNK3MEN1KMT2A
SCHEMBL7923787 0.76 SMN1; SMN2 (0.45) KCNK3MEN1KMT2APOLB
SCHEMBL11379914 0.75 MAOB (0.58) CES2MAOBLMNASRD5A2KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
EP-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP disclosed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO disclosed
US-5198451-A Treatment of epilepsy, inhibitors of gamma-aminobutyric acid uptake from synaptic cleft NOVO NORDISK A/S (DK) 1993-03-30 US disclosed
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed