SCHEMBL7923653

SCHEMBL7923653

Clc1cccc(C(=CCBr)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
PARP1 P09874 1/20 0.42
GRIN2B Q13224 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7923651 1.00 ERCC5 (0.42) ERCC5FEN1PARP1GRIN2BKCNK3
SCHEMBL7535000 0.83 MTNR1A (0.47)
SCHEMBL10967623 0.83 ERCC5 (0.42) ERCC5FEN1PARP1GRIN2BKCNK3
SCHEMBL7923784 0.79 SMN1; SMN2 (0.45) PARP1KCNK3KCNK9NPC1RAB9A
SCHEMBL7923787 0.79 SMN1; SMN2 (0.45) PARP1KCNK3KCNK9NPC1RAB9A
SCHEMBL29055555 0.77 PARP1 (0.43) ERCC5FEN1PARP1GRIN2BKCNK3
SCHEMBL29055560 0.77 PARP1 (0.43) ERCC5FEN1PARP1GRIN2BKCNK3
SCHEMBL7917360 0.76 MTNR1A (0.63) PARP1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7917357 0.76 MTNR1A (0.63) PARP1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7925187 0.76 CES2 (0.49) KCNK3MAOBMEN1KMT2A

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