SCHEMBL9362183

SCHEMBL9362183

Cc1n[c]ccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.44
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 3/20 0.40
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CDC7 O00311 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL2438107 0.82 GABRP (0.46) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL9100531 0.78 KDM4E (0.39) NNMTSIRT3TDP1PARP1KDM4E
SCHEMBL161323 0.71 NNMT (0.61) NNMTSIRT3TDP1PARP1KDM4E
Hydrochloric Acid SCHEMBL2162841 0.69 NNMT (0.59) NNMTSIRT3TDP1PARP1KDM4E
SCHEMBL5169958 0.68 SIRT3 (0.44) NNMTSIRT3TDP1PARP1KDM4E
SCHEMBL5749013 0.67 PARP1 (0.58) PARP1KDM4EALDH1A1
SCHEMBL5749771 0.67 KDM4E (0.42) PARP1KDM4EMAPTALDH1A1HPGD
SCHEMBL17672876 0.65 SIRT3 (0.41) NNMTSIRT3TDP1PARP1KDM4E
SCHEMBL28322999 0.65 NNMT (0.46) NNMTSIRT3TDP1PARP1KDM4E
SCHEMBL28905992 0.65 P2RX7 (0.65) NNMTSIRT3TDP1PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628027-A1 AZO OXIME ETHERS AND THEIR USE AS FUNGICIDES CIBA-GEIGY AG (CH) 1994-12-14 EP disclosed
WO-1993016986-A1 AZO OXIME ETHERS AND THEIR USE AS FUNGICIDES CIBA-GEIGY AG (CH) 1993-09-02 WO disclosed