SCHEMBL9324510

SCHEMBL9324510

CC(CNC(=N)N)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
BCAT2 O15382 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MDM2 Q00987 1/20 0.39
F10 P00742 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL29016421 0.83 KMT2A (0.50) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL8697982 0.78 PGR (0.49) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL11808826 0.75 GABRR1 (0.41) MAPTCYP2C19BLMAPAF1
SCHEMBL18872073 0.75 GABRR1 (0.41) MAPTCYP2C19BLMAPAF1
SCHEMBL24241859 0.75 GABRR1 (0.41) MAPTCYP2C19BLMAPAF1
SCHEMBL9323588 0.73 PGR (0.52) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL14590987 0.73 KMT2A (0.53) KMT2ALMNATDP1L3MBTL1SMN1; SMN2
SCHEMBL4018230 0.73 AOC3 (0.58) BCAT2TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL17198959 0.73 AOC3 (0.58) BCAT2TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL19305014 0.72 PGR (0.47) KMT2APGRADRA2AADRA2BHTR2A

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
US-5376685-A Arylhydrazones using as SAMDC inhibitors CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5238941-A S-adenosylmethionine decarboxylase inhibitors CIBA-GEIGY CORPORATION (US) 1993-08-24 US disclosed
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5118709-A Decarboxylase enzyme inhibitors; antitumor agents CIBA-GEIGY CORPORATION (US) 1992-06-02 US disclosed
US-4971986-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1990-11-20 US disclosed
EP-0335832-A2 Aryl hydrazones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed