SCHEMBL8189644

SCHEMBL8189644

O=C(O)c1ccccc1C(=O)c1c[nH]nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
AKR1C3 P42330 3/20 0.46
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
CDC25A P30304 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRNP P04156 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
NR4A1 P22736 1/20 0.40

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
SCHEMBL7729548 0.92 KDM4E (0.50) ATMKDM4ELMNAALOX15ALDH1A1
SCHEMBL415485 0.88 KDM4E (0.55) CDC25BATMKDM4ELMNAALOX15
SCHEMBL8189911 0.85 SMN1; SMN2 (0.55) ATMKDM4ELMNAALOX15ALDH1A1
Ethylene SCHEMBL27448159 0.85 KDM4E (0.51) CDC25BATMKDM4ELMNAALOX15
SCHEMBL8192545 0.84 RORB (0.47) KDM4ELMNAALOX15ALDH1A1POLB
SCHEMBL7666259 0.78 KDM4E (0.47) ATMKDM4ELMNAALOX15ALDH1A1
SCHEMBL11957361 0.78 SMN1; SMN2 (0.49) KDM4ELMNAALOX15ALDH1A1SMN1; SMN2
SCHEMBL27717172 0.77 ACMSD (0.50) KDM4ELMNA
SCHEMBL1729990 0.76 DHODH (0.49) KDM4ELMNA
SCHEMBL8913939 0.75 KDM4E (0.45) ATMKDM4ELMNAALOX15ALDH1A1

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
US-6030926-A AS HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
US-5939559-A HERBICIDES FROM PYRAZOLE KETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-17 US disclosed
EP-0822187-A1 PYRAZOLE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-02-04 EP disclosed