SCHEMBL9257797

SCHEMBL9257797

CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)ccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
MAPT P10636 2/20 0.47
KIF11 P52732 5/20 0.44
DDR1 Q08345 5/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNMA1 Q12791 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL9259975 0.88 CA9 (0.43) CA12CA9MAPTKIF11DDR1
SCHEMBL9257826 0.83 FEN1 (0.55) CA12CA9MEN1KMT2A
SCHEMBL9259395 0.81 CA12 (0.41) CA12CA9
SCHEMBL9252371 0.80 FEN1 (0.44)
SCHEMBL2388699 0.79 PARP1 (0.44) CA12CA9DDR1
SCHEMBL9262316 0.78 KIF11 (0.42) CA9KIF11CYP1A2HSP90AA1KMT2A
SCHEMBL9258552 0.78 KDM4E (0.47) CA12CA9MAPTKMT2ANPSR1
SCHEMBL9261018 0.77 ALK (0.39) DDR1
SCHEMBL9264418 0.77 FEN1 (0.58) KCNMA1
SCHEMBL9255519 0.77 CCNB2 (0.36) CA12CA9KMT2A

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
WO-1995019346-A1 QUINAZOLINE-2,4-DIONES SANDOZ LTD. (CH) 1995-07-20 WO claimed
WO-1995019346-A1 QUINAZOLINE-2,4-DIONES SANDOZ LTD. (CH) 1995-07-20 WO disclosed