SCHEMBL29868032

SCHEMBL29868032

CC(O)(c1n[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ PDPK1 O15530 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ YTHDC1 Q96MU7 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CTNNB1 P35222 2/20 0.38
▸ WNT3A P56704 2/20 0.38
▸ MAP2K4 P45985 1/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.36

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
SCHEMBL4540970 0.82 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL2616447 0.78 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29868197 0.78 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL4751136 0.78 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25418887 0.77 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL31708133 0.77 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL30471977 0.77 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL30471931 0.77 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25216340 0.75 KDM4E (0.42) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL23797047 0.75 KDM4E (0.53) KDM4EGAAPDPK1CYP3A4CYP1A2

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
CN-114929683-A Pyridine derivatives as calcium-activated chloride channel modulators 跨膜蛋白16A有限公司 2022-08-19 — — CN disclosed
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