SCHEMBL27891779

SCHEMBL27891779

CNc1nccc2c3ccccc3n(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.49
FTO Q9C0B1 1/20 0.49
GPR3 P46089 1/20 0.47
UTS2R Q9UKP6 1/20 0.44
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42

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
SCHEMBL31402850 0.80 UTS2R (0.44) ALKBH5FTOGPR3UTS2RGABRP
SCHEMBL27908745 0.79 PGR (0.49) UTS2RKDM4EALDH1A1LMNAGAA
SCHEMBL3333888 0.78 DYRK1A (0.59) ALKBH5FTOGPR3GABRPGABRD
SCHEMBL27908740 0.77 ALDH1A1 (0.41) UTS2RKDM4EALDH1A1LMNAHPGD
SCHEMBL27891760 0.77 MCL1 (0.60) UTS2RKDM4EALDH1A1LMNAHPGD
SCHEMBL3340225 0.77 ALKBH5 (0.51) ALKBH5FTOGPR3GABRPGABRD
SCHEMBL16596110 0.77 ALKBH5 (0.51) ALKBH5FTOGPR3GABRPGABRD
SCHEMBL27992450 0.77 ALKBH5 (0.51) ALKBH5FTOGPR3UTS2RGABRP
SCHEMBL3339645 0.77 ALKBH5 (0.51) ALKBH5FTOGPR3GABRPGABRD
SCHEMBL27891742 0.76 MCL1 (0.54) UTS2RALDH1A1LMNAHTTSMN1; SMN2

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
CN-102146080-B Beta-carboline alkali derivative compounds and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD 2013-01-30 CN disclosed