SCHEMBL3626311

SCHEMBL3626311

Oc1cccc(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 15/20 0.55
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
KIF11 P52732 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46

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
SCHEMBL15455181 0.88 PARP14 (0.59) PARP14CA1CA2CA4CA6
SCHEMBL30600352 0.88 PARP14 (0.59) PARP14CA1CA2CA4CA6
SCHEMBL38651273 0.88 KIF11 (0.55) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL11300294 0.86 PARP14 (0.49) PARP14CA1CA2CA4CA6
SCHEMBL4280269 0.85 PARP14 (0.56) PARP14CA1CA2CA4CA6
SCHEMBL208113 0.84 KIF11 (0.63) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL29733506 0.84 KIF11 (0.63) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL14672591 0.83 GABRP (0.53) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL29268767 0.82 KIF11 (0.53) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL191654 0.82 KIF11 (0.61) PARP14KIF11GABRPGABRDGABRA1

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-2066150-B1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC (KR) 2010-05-26 EP claimed