SCHEMBL9529759

SCHEMBL9529759

COc1ccc(OCCc2ccccc2C(=NO)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
MGLL Q99685 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL9530556 0.91 MAPT (0.43) KMT2AUSP2LMNANFKB1NFKB2
SCHEMBL9529148 0.89 GLA (0.45) KMT2AUSP2LMNANFKB1NFKB2
SCHEMBL9532132 0.88 KMT2A (0.51) KMT2AUSP2CYP2C9CYP11B1CYP11B2
SCHEMBL9529212 0.87 MAPT (0.44) KMT2ALMNANPC1POLBMAPT
SCHEMBL9529772 0.83 SGMS2 (0.47) KMT2APOLBMAPTSMN1; SMN2TSHR
SCHEMBL9532147 0.81 CYP1A2 (0.44) KMT2AUSP2LMNAPOLBMAPT
SCHEMBL9529710 0.81 RAB9A (0.44) KMT2ALMNANPC1MAPTSMN1; SMN2
SCHEMBL10407323 0.81 ABCB1 (0.61) KMT2ASMN1; SMN2CYP1A2TSHRABCB1
SCHEMBL9531938 0.79 TBXA2R (0.46) KMT2ATSHRCYP11B1CYP11B2
SCHEMBL9528143 0.79 CYP1A2 (0.42) KMT2AUSP2LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed