SCHEMBL25840308

SCHEMBL25840308

CC(=O)NC(F)(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PTPN1 P18031 1/20 0.42
TSHR P16473 3/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL6392143 0.83 PTPN1 (0.45) KCNN4MAPTALDH1A1RECQLHDAC3
SCHEMBL25840311 0.82 KMT2A (0.44) KCNN4MAPTTSHRKMT2AMEN1
SCHEMBL27432749 0.79 MAPT (0.50) KCNN4NAPRTHSD17B10MAPTHDAC3
SCHEMBL3322720 0.78 MAPT (0.50) KCNN4NAPRTHSD17B10MAPTALDH1A1
SCHEMBL8226385 0.78 KCNN4 (0.50) KCNN4NAPRTHSD17B10MAPTALDH1A1
SCHEMBL31358110 0.78 KCNN4 (0.47) KCNN4NAPRTHSD17B10MAPTALDH1A1
SCHEMBL9784340 0.77 MAPT (0.39) KCNN4NAPRTHSD17B10MAPTALDH1A1
SCHEMBL9784343 0.77 MAPT (0.39) KCNN4NAPRTHSD17B10MAPTALDH1A1
SCHEMBL13881112 0.77 KCNN4 (0.45) KCNN4NAPRTHSD17B10MAPTALDH1A1
SCHEMBL2283304 0.77 SSTR4 (0.51) KCNN4NAPRTHSD17B10MAPTHDAC3

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
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed