SCHEMBL7899177

SCHEMBL7899177

O=C1NC(C(=O)O)C(c2ccc(Br)cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
HDAC4 P56524 1/20 0.38
GRM5 P41594 1/20 0.36
PLA2G1B P04054 2/20 0.36
POLB P06746 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAPDH P04406 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
MIF P14174 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7527637 0.86 GRM5 (0.46) GRM5POLBTDP1HSPA1APTPN7
SCHEMBL9321602 0.86 GRM5 (0.46) GRM5POLBTDP1HSPA1APTPN7
SCHEMBL6509232 0.80 EDNRA (0.47) KMT2AMEN1GRM5POLBHSPA1A
SCHEMBL7900098 0.78 CYP2C9 (0.39) CYP2C9CYP2C19KMT2AMEN1HDAC4
SCHEMBL30695642 0.76 MDM2 (0.43) CYP2C9CYP2C19KMT2AMEN1GRM5
SCHEMBL11430937 0.75 ALDH1A1 (0.47) GAASMN1; SMN2KDM4ENPSR1ALDH1A1
SCHEMBL9212615 0.74 KDM4E (0.41) KMT2AMEN1POLBGAAKDM4E
SCHEMBL15676211 0.73 MAPT (0.40) KMT2AMEN1GAAKDM4ECYP2D6
SCHEMBL11546959 0.72 CYP2D6 (0.46) KMT2AGRM5POLBTDP1KDM4E
SCHEMBL7534121 0.72 GRM5 (0.44) GRM5POLBKDM4ECYP2D6LMNA

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed