SCHEMBL7991669

SCHEMBL7991669

Oc1nc(-c2cccc(F)c2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
BRD4 O60885 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
CDK9 P50750 3/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
CNR1 P21554 1/20 0.36
DBH P09172 1/20 0.36
ACP1 P24666 1/20 0.36

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
SCHEMBL7991635 0.94 IDO1 (0.37) HDAC1HDAC6HSD17B13BRD4CYP11B1
SCHEMBL7985791 0.94 CYP11B1 (0.40) HSD17B13BRD4CYP11B1CYP11B2EPHX2
SCHEMBL7987253 0.94 HPGDS (0.40) HDAC1HDAC6CYP11B1CYP11B2ACP1
SCHEMBL7985299 0.93 CDK9 (0.39) HDAC6HSD17B13BRD4CYP11B1CYP11B2
SCHEMBL7987310 0.92 YTHDC1 (0.41) HDAC1HDAC6HSD17B13CDK9ACP1
SCHEMBL7988958 0.92 ALDH1A1 (0.42) BRD4CYP11B1CYP11B2
SCHEMBL7985360 0.92 POLB (0.40) HDAC1HDAC6HSD17B13CDK9ACP1
SCHEMBL7988638 0.92 MET (0.42) HSD17B13BRD4CYP11B1CYP11B2EPHX2
SCHEMBL7988734 0.92 MET (0.44) HDAC1HDAC6HSD17B13CYP11B1CYP11B2
SCHEMBL7985264 0.90 CYP11B1 (0.41) HSD17B13BRD4CYP11B1CYP11B2EPHX2

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed