SCHEMBL16751644

SCHEMBL16751644

c1cc2c(cn1)[nH]c1oc3ccncc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 6/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
IKBKB O14920 1/20 0.43
AURKA O14965 1/20 0.43
PIM1 P11309 1/20 0.43
TOP1 P11387 1/20 0.43
IDO1 P14902 1/20 0.43
GABRB1 P18505 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL16751753 0.87 ACHE (0.53) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL16751701 0.78 CHEK1 (0.40) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL16751746 0.78 GABRA1 (0.53) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL16751759 0.78 ACHE (0.53) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL16751652 0.77 GABRA1 (0.39) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL16751752 0.77 GABRA1 (0.43) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL16751702 0.73 GABRA1 (0.42) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL11884986 0.69 ACHE (0.37) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL12396541 0.69 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL30322777 0.69 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5

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-2015076600-A1 NOVEL LIGHT EMISSION COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2015-05-28 WO disclosed