SCHEMBL29956779

SCHEMBL29956779

O=Cc1cc2nc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
CYP2A6 P11509 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 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
SCHEMBL4266872 0.79 GABRP (0.53) LOXL2CYP2A6GABRPGABRDGABRA1
SCHEMBL29956124 0.76 CYP2A6 (0.42) LOXL2CYP2A6MAPTKDM4EALDH1A1
SCHEMBL1788955 0.76 CYP2A6 (0.42) LOXL2CYP2A6MAPTKDM4EALDH1A1
SCHEMBL2465473 0.76 KDM4E (0.64) CYP2A6MAOAMAOBKDM4EALDH1A1
SCHEMBL24860323 0.73 MAOA (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20595429 0.72 L3MBTL1 (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL31108064 0.72 L3MBTL1 (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL30488441 0.72 GRM5 (0.43) LOXL2GABRPGABRDGABRA1GABRB1
SCHEMBL5364336 0.72 GRM5 (0.43) LOXL2GABRPGABRDGABRA1GABRB1
SCHEMBL28230139 0.70 CYP3A4 (0.55) MAPTSMN1; SMN2L3MBTL1GRM5PKM

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed