SCHEMBL12660312

SCHEMBL12660312

CCOC(=O)c1ncccc1NC(=O)Cc1c(F)cc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.68
▸ P2RX7 Q99572 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4161486 0.84 BRD4 (0.46) BRD4TSHRALDH1A1POLBL3MBTL1
SCHEMBL1887669 0.82 HTT (0.57) BRD4P2RX7ALDH1A1POLBL3MBTL1
SCHEMBL4715967 0.82 BRD4 (0.44) BRD4TSHRALDH1A1POLBL3MBTL1
SCHEMBL1885875 0.81 BRD4 (0.43) BRD4P2RX7TSHRALDH1A1POLB
SCHEMBL30910867 0.81 BRD4 (0.86) BRD4TSHRALDH1A1MAPTCYP1A2
SCHEMBL1891276 0.78 TP53 (0.44) TSHRALDH1A1POLBL3MBTL1MAPT
SCHEMBL21830986 0.77 BRD4 (0.79) BRD4TSHRALDH1A1L3MBTL1MAPT
SCHEMBL29922633 0.77 BRD4 (0.79) BRD4TSHRALDH1A1L3MBTL1MAPT
SCHEMBL16505732 0.76 BRD4 (0.60) BRD4TSHRALDH1A1L3MBTL1MAPT
SCHEMBL31453471 0.76 BRD4 (0.60) BRD4TSHRALDH1A1L3MBTL1MAPT

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
US-7947679-B2 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-05-24 — — US disclosed
US-7947679-B2 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-05-24 — — US disclosed
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