SCHEMBL9879740

SCHEMBL9879740

CCOC(=O)C1C=NNC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TDP2 O95551 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL1625119 0.73 RAB9A (0.40) RAB9AKDM4ELMNAMEN1KMT2A
SCHEMBL16612459 0.73 TSHR (0.41) RAB9AKDM4EMEN1KMT2ACYP1A2
SCHEMBL16612335 0.72 RAB9A (0.42) RAB9AKDM4ELMNAMEN1KMT2A
SCHEMBL18382542 0.71
Benzene SCHEMBL27598160 0.70 RAB9A (0.55) RAB9AKDM4ELMNAMEN1KMT2A
SCHEMBL4773453 0.68 KDM4E (0.36) RAB9AKDM4EMEN1KMT2ACYP1A2
SCHEMBL2648346 0.65 ALDH1A1 (0.37) KDM4ELMNAMEN1KMT2ACYP1A2
SCHEMBL16487312 0.64 RAB9A (0.44) RAB9AKDM4ELMNAMEN1KMT2A
SCHEMBL29188210 0.64 MAPT (0.35) RAB9AKDM4EMEN1KMT2ACYP2C19
SCHEMBL19463937 0.63 RAB9A (0.63) RAB9AKDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988718-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4968687-A AGRICULTURAL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4929738-A BACTERICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0359078-A1 Substituted heterocyclyl-oximino-pyrazolin-5-ones, method for their preparation and their use as herbicides BAYER AG (DE) 1990-03-21 EP disclosed
EP-0212360-B1 SUBSTITUTED PYRAZOLIN-5-ONES BAYER AG (DE) 1989-11-08 EP disclosed
US-4804398-A 1-aryl-4-cyano-5-halogenopyrazoles, composition containing them, and method of using them as selective herbicides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
EP-0166171-B1 SUBSTITUTED PYRAZOLIN-5-ONE BAYER AG (DE) 1988-12-07 EP disclosed
US-4767775-A Substituted pyrazolin-5-ones, composition containing them, and method of combating fungi or bacteria BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
US-4747867-A 1-aryl-4-cyano-5-halogenopyrazoles, composition containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
US-4743615-A Substituted pyrazolin-5-ones, composition containing, and method of using them to combat fungi BAYER AKTIENGESELLSCHAFT (DE) 1988-05-10 US disclosed
EP-0225472-A1 Substituted pyrazolin-5-ones BAYER AG (DE) 1987-06-16 EP disclosed
EP-0212360-A1 Substituted pyrazolin-5-ones BAYER AG (DE) 1987-03-04 EP disclosed
EP-0204242-A2 1-Aryl-4-cyano-5-halogen pyrazoles BAYER AG (DE) 1986-12-10 EP disclosed
EP-0166171-A1 Substituted pyrazolin-5-one BAYER AG (DE) 1986-01-02 EP disclosed