SCHEMBL8308002

SCHEMBL8308002

COc1c(C(=O)O)c(C)nn1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ABCB1 P08183 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL28388936 0.83 KDM4E (0.44) KDM4EMAPTPOLBLMNAL3MBTL1
SCHEMBL877015 0.81 MAPT (0.64) KDM4EMAPTPOLBLMNAL3MBTL1
SCHEMBL28945945 0.79 KDM4E (0.38) KDM4EMAPTPOLBALDH1A1CA12
SCHEMBL11478543 0.77 KDM4E (0.39) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL11487909 0.77 KDM4E (0.36) KDM4EMAPTALDH1A1GAACYP1A2
SCHEMBL1335845 0.75 KDM4E (0.60) KDM4EMAPTPOLBLMNAL3MBTL1
SCHEMBL876551 0.75 MAPT (0.66) KDM4EMAPTPOLBLMNAL3MBTL1
SCHEMBL876883 0.75 MAPT (0.79) KDM4EMAPTPOLBLMNAL3MBTL1
Hydrochloric Acid SCHEMBL10341079 0.74 KDM4E (0.58) KDM4EMAPTPOLBLMNAL3MBTL1
SCHEMBL4350886 0.74 KDM4E (0.45) KDM4EMAPTPOLBLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903279-B Pyrazole compound, salt and application thereof 潍坊中农联合化工有限公司 2023-05-16 CN disclosed
CN-110903279-A Pyrazole compound and salt and application thereof 潍坊中农联合化工有限公司 2020-03-24 CN disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
US-4226877-A ANTIPSYCHOTIC AGENTS, SCHIZOPHRENIA ABBOTT LABORATORIES (US) 1980-10-07 US disclosed