SCHEMBL6627985

SCHEMBL6627985

CC(NC(=O)/C=C/c1ccccc1F)c1cccc(-c2cnccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 1/20 0.44
HDAC4 P56524 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38

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
SCHEMBL6669350 1.00 PIM2 (0.44) PIM2HDAC4TDP1LDHALDHB
SCHEMBL6669344 1.00 PIM2 (0.44) PIM2HDAC4TDP1LDHALDHB
SCHEMBL6669339 1.00 PIM2 (0.44) PIM2HDAC4TDP1LDHALDHB
SCHEMBL30795152 1.00 PIM2 (0.44) PIM2HDAC4TDP1LDHALDHB
SCHEMBL6624883 0.89 TDP1 (0.44) TDP1
SCHEMBL6672823 0.89 TDP1 (0.44) TDP1
SCHEMBL6672826 0.89 TDP1 (0.44) TDP1
SCHEMBL6672822 0.89 TDP1 (0.44) TDP1
SCHEMBL6670254 0.87 TDP1 (0.44) TDP1
SCHEMBL30824689 0.87 TDP1 (0.44) TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP claimed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed