SCHEMBL9018680

SCHEMBL9018680

CCc1ccc(C(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.43
PLAU P00749 1/20 0.42
CES2 O00748 1/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
SLC9A5 Q14940 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CFTR P13569 1/20 0.39

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
SCHEMBL8611582 0.91 CFTR (0.51) SLC9A1PLAUCES2KDM4ECFTR
SCHEMBL9018692 0.90 SLC9A1 (0.41) SLC9A1PLAUCES2SLC9A5KDM4E
SCHEMBL9018659 0.88 PLK1 (0.40) SLC9A1PLAUCES2SLC9A5
SCHEMBL24720949 0.84 JAK2 (0.50) CES2JAK2JAK1TYK2KDM4E
SCHEMBL8612587 0.83 CFTR (0.48) SLC9A1CES2CFTR
SCHEMBL9018705 0.82 SLC9A1 (0.48) SLC9A1PLAUCES2
SCHEMBL8612829 0.81 CFTR (0.46) SLC9A1CFTR
SCHEMBL9018662 0.80 CES2 (0.62) SLC9A1PLAUCES2SLC9A5KDM4E
SCHEMBL9018707 0.80 SLC9A1 (0.46) SLC9A1PLAUCES2KDM4EALDH1A1
SCHEMBL9018685 0.79 CES2 (0.49) SLC9A1PLAUCES2SLC9A5KDM4E

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
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed