SCHEMBL9706677

SCHEMBL9706677

CCCCc1nn(CC)c(C(=O)O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
NPC1 O15118 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
Bromide SCHEMBL9468234 0.98 HCAR2 (0.41) HCAR2NPC1GABRPGABRDGABRA1
SCHEMBL27727527 0.88 KDM4E (0.34) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL9468230 0.85 HCAR2 (0.33) HCAR2KDM4E
SCHEMBL5411887 0.78 SMN1; SMN2 (0.49) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL27898717 0.77 SMN1; SMN2 (0.47) HCAR2NPC1MAPTKDM4EALDH1A1
SCHEMBL1326752 0.76 KDM4E (0.51) NPC1MAPTKDM4EALDH1A1LMNA
SCHEMBL27727536 0.73 RAB9A (0.36) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL27766879 0.70 KDM4E (0.37) NPC1MAPTKDM4EALDH1A1ALOX15
SCHEMBL6819929 0.69 MAPT (0.39) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL19616038 0.69 POLB (0.39) NPC1MAPTKDM4ETDP1L3MBTL1

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-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed