SCHEMBL9491571

SCHEMBL9491571

CCOc1cc(C(CC)c2nc3cccc(C(=O)O)c3[nH]2)ccc1-c1ccccc1-c1nc(=S)o[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APLNR P35414 1/20 0.33
GUSB P08236 1/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM5B Q9UGL1 2/20 0.31
AGTR1 P30556 2/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL9494117 0.92 KDM4E (0.38) KDM4ETP53LMNASMN1; SMN2APLNR
SCHEMBL9492707 0.90 APLNR (0.34) KDM4EAPLNRPARP1RAB9AMAPT
SCHEMBL9491699 0.79 LMNA (0.35) KDM4ELMNAAPLNRRAB9AMAPT
SCHEMBL8868610 0.74 PARP1 (0.36) KDM4ETP53LMNASMN1; SMN2PARP1
SCHEMBL789857 0.72 ABCB11 (0.36) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL8587444 0.71 TSHR (0.36) KDM4ETP53LMNASMN1; SMN2POLB
SCHEMBL8361981 0.71 PTPN11 (0.37) KDM4ETP53LMNASMN1; SMN2L3MBTL1
SCHEMBL8359536 0.70 KDM4E (0.40) KDM4ETP53LMNASMN1; SMN2AGTR1
SCHEMBL9493716 0.69 BRS3 (0.39) PARP1AGTR1AGTR2
SCHEMBL9491716 0.68 ELANE (0.35) SMN1; SMN2APLNRTDP1

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
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed