SCHEMBL11748834

SCHEMBL11748834

CCOC(=O)n1nc2c(C(F)(F)F)cccc2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 3/20 0.39
▸ ELANE P08246 5/20 0.38
▸ NR1H2 P55055 3/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL11751236 0.81 KDM4E (0.40) KDM4EUSP2TP53MAPK1RECQL
SCHEMBL11755492 0.77 TSHR (0.40) KDM4EUSP2TP53MAPK1RECQL
SCHEMBL11748319 0.76 GABRP (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11752876 0.75 TSHR (0.47) KDM4EMAPK1HSD17B10MAPTELANE
SCHEMBL11751783 0.73 MAPT (0.42) KDM4EHSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL11749353 0.73 MAPT (0.42) KDM4EMAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11751326 0.71 ALDH1A1 (0.40) KDM4EMAPK1MAPTALDH1A1TSHR
SCHEMBL11755290 0.71 KCNQ2 (0.42) KDM4ETP53MAPTALDH1A1MEN1
SCHEMBL442163 0.70 KMT2A (0.65) KDM4EUSP2TP53MAPK1RECQL
SCHEMBL31118653 0.70 KDM4E (0.52) KDM4EUSP2TP53MAPK1RECQL

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-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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