SCHEMBL6004283

SCHEMBL6004283

Oc1cc2cccnc2nc1-c1csc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.40
CDC7 O00311 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
PGK1 P00558 1/20 0.34
PTGER2 P43116 1/20 0.33
CNR2 P34972 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL6004130 0.78 PGK1 (0.35) ERN1CDC7PGK1HTR1ATGFBR1
SCHEMBL6005298 0.73 SRC (0.44) PGK1TGFBR1
SCHEMBL1692394 0.72 DHODH (0.44) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL3896975 0.71 KDM4E (0.45) ALDH1A1KDM4EHSD17B10LMNAPOLB
SCHEMBL6004768 0.71 KDM4E (0.51) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL12606346 0.68 RIPK1 (0.56)
SCHEMBL27527225 0.66 MMP2 (0.45) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL6004302 0.66 KDM4E (0.43) ALDH1A1KDM4EGLAMEN1LMNA
SCHEMBL6004845 0.66 MAPK14 (0.52) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6004749 0.66 CYP1A2 (0.41) ALDH1A1KDM4EMEN1POLBKMT2A

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed