SCHEMBL7917518

SCHEMBL7917518

Cc1ccccc1C(=CCBr)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.44
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL7928727 1.00 SLC6A1 (0.44) SLC6A1ERCC5FEN1CYP1A2CYP2C19
SCHEMBL7923183 0.89 ERCC5 (0.39) SLC6A1ERCC5FEN1KMT2ANPC1
SCHEMBL7923057 0.81 MTNR1A (0.47) L3MBTL1KMT2AMTNR1AMTNR1BNPC1
SCHEMBL7923055 0.81 MTNR1A (0.47) L3MBTL1KMT2AMTNR1AMTNR1BNPC1
SCHEMBL7535000 0.80 MTNR1A (0.47) CYP1A2CYP2C19ALDH1A1CYP2C9NPSR1
SCHEMBL6548199 0.79 NPC1 (0.42) SLC6A1ERCC5FEN1CYP1A2CYP2C19
SCHEMBL7925207 0.79 NPC1 (0.42) SLC6A1ERCC5FEN1CYP1A2CYP2C19
SCHEMBL3883438 0.77 SLC6A1 (0.44) SLC6A1ERCC5FEN1CYP1A2CYP2C19
SCHEMBL9524284 0.74 L3MBTL1 (0.46) SLC6A1CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL9524288 0.74 L3MBTL1 (0.46) SLC6A1CYP1A2CYP2C19ALDH1A1CYP2C9

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