SCHEMBL16751699

SCHEMBL16751699

c1cnc2c(c1)sc1[nH]c3cnccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.49
GABRG2 P18507 4/20 0.49
GABRB3 P28472 4/20 0.49
GABRA5 P31644 4/20 0.49
GABRA3 P34903 4/20 0.49
GABRA2 P47869 4/20 0.49
CHUK O15111 5/20 0.41
KDM4E B2RXH2 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIM1 P11309 1/20 0.41
TOP1 P11387 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL16751751 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751602 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751653 0.83 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751705 0.80 LIMK1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751688 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751650 0.79 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751658 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751749 0.72 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12590217 0.72 CHUK (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL34467237 0.72 LIMK1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2PDPK1

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