SCHEMBL6203822

SCHEMBL6203822

[c]1[nH]c2ccccc2c1-c1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
PDPK1 O15530 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALPL P05186 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 1/20 0.31
TTK P33981 1/20 0.31
MAPK10 P53779 1/20 0.31
GPR3 P46089 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2530675 0.71 NISCH (0.46) KDM4ECYP3A4ALDH1A1IDO1HPGD
SCHEMBL6301542 0.71 NPC1 (0.58) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL1754216 0.70 IDO1 (0.56) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL2886575 0.70 IDO1 (0.56) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL7140034 0.70
SCHEMBL718222 0.70 ALDH1A1 (0.41) KDM4EGAAALDH1A1ALPLIDO1
SCHEMBL4309887 0.69 PARP1 (0.36) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL6608781 0.69 MEN1 (0.31) ALDH1A1GPR3HSD17B10
SCHEMBL4829952 0.69 HSD17B10 (0.49) KDM4EGAACYP3A4ALDH1A1HSD17B10
SCHEMBL6721218 0.68 IMPDH2 (0.47) KDM4EALDH1A1IDO1HPGDHSD17B10

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-1514942-A1 METHOD OF SEARCHING SUBSTANE HAVING ANTIDIABETIC ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-16 EP disclosed