SCHEMBL9603759

SCHEMBL9603759

Cc1nc2sc3c(c2c(N)c1C(=O)O)CCN(C=O)C3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 7/20 0.41
GABRD O14764 7/20 0.41
GABRA1 P14867 7/20 0.41
GABRB1 P18505 7/20 0.41
GABRG2 P18507 7/20 0.41
GABRB3 P28472 7/20 0.41
GABRA5 P31644 7/20 0.41
GABRA3 P34903 7/20 0.41
GABRA2 P47869 7/20 0.41
GABRB2 P47870 7/20 0.41
GABRA4 P48169 7/20 0.41
GABRE P78334 7/20 0.41
GABRA6 Q16445 7/20 0.41
GABRG1 Q8N1C3 7/20 0.41
GABRG3 Q99928 7/20 0.41
GABRQ Q9UN88 7/20 0.41
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9599417 0.85 KDM4E (0.57) MAPTKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL9598196 0.84 ADORA1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9597904 0.83 BPTF (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9598034 0.81 PRKCI (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL618092 0.78 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9598331 0.78 ADORA1 (0.64) MAPTKDM4EADORA1
SCHEMBL9597948 0.77 RAB9A (0.55) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9598974 0.74 ADORA1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9599408 0.70 KDM4E (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9603688 0.70 MAPT (0.47) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A

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-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 WO disclosed