SCHEMBL28402004

SCHEMBL28402004

Cn1nc(C(F)(F)F)cc1NC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CRACR2A Q9BSW2 2/20 0.52
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ BRAF P15056 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ KCNT1 Q5JUK3 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL30153285 1.00 LMNA (0.57) LMNAMEN1TSHRKMT2ACRACR2A
SCHEMBL28407306 0.85 POLB (0.52) LMNARAB9ANPC1CYP3A4ALDH1A1
SCHEMBL28401527 0.84 CRACR2A (0.51) CRACR2ABRAFTRPA1KCNT1CYP3A4
SCHEMBL30153261 0.82 STIM1 (0.50) CRACR2ARAB9ABRAFCYP3A4KDM4E
SCHEMBL28398093 0.82 STIM1 (0.50) CRACR2ARAB9ABRAFCYP3A4KDM4E
SCHEMBL28399748 0.82 LMNA (0.62) LMNAMEN1TSHRKMT2ARAB9A
SCHEMBL28401280 0.81 KDM4E (0.55) LMNAMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL30153256 0.81 KCNK3 (0.56) LMNAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28393670 0.81 KCNK3 (0.56) LMNAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28401432 0.80 GRM5 (0.51) LMNAMEN1KMT2ARAB9ANPC1

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
CN-111187215-B Fluorine-containing pyrazole amide derivative, preparation method and application thereof 西北农林科技大学 2023-02-24 — — CN disclosed
CN-111187215-A Fluorine-containing pyrazole amide derivative, preparation method and application thereof 西北农林科技大学 2020-05-22 — — CN disclosed
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