SCHEMBL9599417

SCHEMBL9599417

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
ALDH1A1 P00352 11/20 0.57
MAPT P10636 7/20 0.57
ADORA1 P30542 2/20 0.57
RAD52 P43351 1/20 0.57
KMT2A Q03164 5/20 0.51
HPGD P15428 6/20 0.48
GAA P10253 5/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 4/20 0.48
GLA P06280 1/20 0.48
BRD4 O60885 3/20 0.47
POLB P06746 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
HSD17B10 Q99714 2/20 0.46
BLM P54132 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
SCHEMBL9598196 0.87 ADORA1 (0.43) KDM4EALDH1A1MAPTADORA1RAD52
SCHEMBL9597904 0.86 BPTF (0.46) KDM4EALDH1A1MAPTADORA1RAD52
SCHEMBL9598034 0.85 PRKCI (0.48) KDM4EALDH1A1MAPTADORA1RAD52
SCHEMBL9603759 0.85 GABRP (0.41) KDM4EALDH1A1MAPTADORA1RAD52
SCHEMBL618092 0.81 MAPT (0.54) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL9598331 0.81 ADORA1 (0.64) KDM4EMAPTADORA1
SCHEMBL9597948 0.80 RAB9A (0.55) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL9598974 0.77 ADORA1 (0.44) KDM4EALDH1A1MAPTADORA1LMNA
SCHEMBL8289394 0.74 ADORA1 (1.00) KDM4EALDH1A1MAPTADORA1RAD52
SCHEMBL9599408 0.73 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDGAA

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