SCHEMBL528733

SCHEMBL528733

COc1cccc(C(=O)Nc2ccc(C(O)[C@H](CCn3nnc4ccccc4c3=O)C(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GPR139 Q6DWJ6 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK10 P53779 1/20 0.44
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL528732 1.00 TSHR (0.53) TSHRGPR139NPC1RAB9ASMN1; SMN2
SCHEMBL527992 0.91 GPR139 (0.51) TSHRGPR139SMN1; SMN2KMT2AMEN1
SCHEMBL526554 0.89 ALDH1A1 (0.52) GPR139KMT2AMEN1KDM4EALDH1A1
SCHEMBL526250 0.86 KMT2A (0.48) TSHRGPR139KMT2AMEN1KDM4E
SCHEMBL526249 0.86 KMT2A (0.48) TSHRGPR139KMT2AMEN1KDM4E
SCHEMBL527769 0.85 GPR139 (0.51) TSHRGPR139NPC1RAB9ASMN1; SMN2
SCHEMBL527770 0.85 GPR139 (0.51) TSHRGPR139NPC1RAB9ASMN1; SMN2
SCHEMBL528471 0.85 ALDH1A1 (0.46) GPR139KMT2AMEN1KDM4EALDH1A1
SCHEMBL528313 0.84 KMT2A (0.47) GPR139NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL528312 0.84 KMT2A (0.47) GPR139NPC1RAB9ASMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP disclosed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed