SCHEMBL30545003

SCHEMBL30545003

Cc1ccc(C)c(N(N)C(=O)C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SLC9A1 P19634 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP2C9 P11712 1/20 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
SCHEMBL30545009 0.79 LMNA (0.38) ALDH1A1MEN1KMT2ATP53KDM4E
SCHEMBL19527666 0.76 POLB (0.39) POLBALDH1A1TDP1GAAHTT
SCHEMBL30545021 0.75 ALOX5 (0.37) ALDH1A1HTTKDM4ETSHR
SCHEMBL27902968 0.75 GAA (0.39) POLBALDH1A1TDP1GAAHTT
SCHEMBL30545032 0.73 HSD17B1 (0.41) ALDH1A1HTTMEN1KMT2ATP53
SCHEMBL15347758 0.72 ALDH1A1 (0.39) POLBALDH1A1TDP1GAAHTT
SCHEMBL20264395 0.69 POLB (0.45) POLBGAAHTTMEN1KMT2A
SCHEMBL29940563 0.69 POLB (0.45) POLBGAAHTTMEN1KMT2A
SCHEMBL10363554 0.68 ALOX5 (0.41) POLBALDH1A1TDP1GAAHTT
SCHEMBL30545014 0.67 FSCN1 (0.47) ALDH1A1GAAHTTTP53HSD17B10

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-116655536-A Class N 1 -aryl-3-fluoroalkyl-5-fluoropyrazole compound, and preparation method and application thereof 天津大学 2023-08-29 — — CN disclosed
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