SCHEMBL8078679

SCHEMBL8078679

COc1ccc(-c2cccnc2)cc1NN

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP11B2 P19099 4/20 0.54
CYP19A1 P11511 3/20 0.54
CYP11B1 P15538 3/20 0.54
CYP17A1 P05093 2/20 0.52
ACLY P53396 4/20 0.52
ABCB1 P08183 6/20 0.50
ABCC1 P33527 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
KIT P10721 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL30196133 0.81 KDM4E (0.70) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL11342031 0.81 KDM4E (0.70) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL4459254 0.81 KDM4E (0.59) ACLYKDM4EMAPT
SCHEMBL8083623 0.80 MKNK1 (0.52) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL10208603 0.80 MKNK1 (0.59) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL11336399 0.80 KDM4E (0.68) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL6130391 0.80 KDM4E (0.57) ACLYKDM4EMAPT
SCHEMBL1911847 0.78 NPC1 (0.65) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL519862 0.77 HSD17B10 (0.65) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL4454661 0.77 CYP11B2 (0.66) MKNK1MKNK2CYP11B2CYP19A1CYP11B1

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-0836596-B1 HYDRAZINE DERIVATIVES UNIROYAL CHEM CO INC (US) 2000-08-23 EP disclosed