SCHEMBL19964313

SCHEMBL19964313

NCc1cc2cc(-c3ccc(OCc4ccccc4)nc3)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 1.00
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL19953384 0.99 LOXL2 (0.98) LOXL2GABRPGABRDGABRA1GABRB1
SCHEMBL19953285 0.85 LOXL2 (0.73) LOXL2CHEK2
SCHEMBL19964757 0.82 LOXL2 (1.00) LOXL2
SCHEMBL400512 0.77 LOXL2 (0.62) LOXL2MAOAMAOBKDM4EALDH1A1
SCHEMBL19953219 0.75 LOXL2 (0.60) LOXL2
SCHEMBL1850732 0.73 LOXL2 (0.57) LOXL2GABRPGABRDGABRA1GABRB1
SCHEMBL19953274 0.72 LOXL2 (0.65) LOXL2CYP2C9
SCHEMBL10214972 0.71 LOXL2 (0.55) LOXL2MAOAMAOB
SCHEMBL4281599 0.70 GABRP (0.54) LOXL2GABRPGABRDGABRA1GABRB1
SCHEMBL31334070 0.70 GABRA5 (0.67) LOXL2GABRPGABRDGABRA1GABRB1

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
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed