SCHEMBL28397884

SCHEMBL28397884

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
PTGS1 P23219 1/20 0.49
F2R P25116 1/20 0.47
PTPRC P08575 1/20 0.46
PTGES O14684 3/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL29047633 0.88 RECQL (0.48) RECQLLMNATP53RXFP1HDAC3
SCHEMBL30546929 0.88 RECQL (0.48) RECQLLMNATP53RXFP1HDAC3
SCHEMBL28402002 0.87 MAPT (0.55) RECQLTP53RXFP1ALDH1A1RAB9A
SCHEMBL28397911 0.87 KMT2A (0.52) RECQLLMNAGAAKDM4EALDH1A1
SCHEMBL28398111 0.86 STIM1 (0.53) LMNARXFP1KDM4EALDH1A1RAB9A
SCHEMBL28398322 0.84 MAPT (0.59) GAAKCNK3KCNK9TP53RXFP1
SCHEMBL28393654 0.84 RECQL (0.57) RECQLLMNAGAAKCNK3KCNK9
SCHEMBL28407306 0.82 POLB (0.52) LMNAGAAKCNK3ALDH1A1RAB9A
SCHEMBL13056023 0.82 MAPT (0.47) RECQLLMNAKCNK3KCNK9PTGS1
SCHEMBL29047658 0.82 RXFP1 (0.57) RXFP1ALDH1A1

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