SCHEMBL11853546

SCHEMBL11853546

CC(C)c1c(C(F)(F)F)cc2[nH]c(C(F)(F)F)nc2c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ ABCC8 Q09428 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ AR P10275 2/20 0.31

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
SCHEMBL11853553 0.82 MAPT (0.36) KDM4EMAPTHPGDPOLBL3MBTL1
SCHEMBL9198054 0.76 CACNA1H (0.34) KDM4EMAPTHPGDPOLBL3MBTL1
SCHEMBL11864732 0.75 KCNH2 (0.38) KDM4EPARP1CA12CA9EGLN1
SCHEMBL9196734 0.74 VCAM1 (0.33) KDM4EMAPTHPGDPOLBL3MBTL1
SCHEMBL11641298 0.74 ALDH1A1 (0.42) KDM4EMAPTHPGDPOLBL3MBTL1
SCHEMBL8855505 0.74 GRIN2D (0.47) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL8855454 0.73 ALDH1A1 (0.43) KDM4EMAPTHPGDPOLBL3MBTL1
SCHEMBL9283765 0.72 VCAM1 (0.35) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL11826945 0.70 ALDH1A1 (0.49) KDM4EMAPTHPGDPOLBL3MBTL1
SCHEMBL8855510 0.69 HPGD (0.43) KDM4EMAPTHPGDPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 — — US disclosed
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