SCHEMBL30745894

SCHEMBL30745894

CN(Cc1ccc(C(N)=O)cc1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTPRZ1 P23471 3/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KIF11 P52732 1/20 0.39
PTPN1 P18031 1/20 0.39
KCNA5 P22460 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GCGR P47871 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GIPR P48546 2/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2541283 0.80 KIF11 (0.54) EPHX2NR1H4PTPRZ1KIF11PTPN1
SCHEMBL30745888 0.76 EPHX2 (0.46) EPHX2NR1H4PTPRZ1HDAC3HDAC1
SCHEMBL30745869 0.76 EPHX2 (0.46) EPHX2NR1H4PTPRZ1HDAC3HDAC1
SCHEMBL30745896 0.74 HDAC1 (0.46) EPHX2NR1H4PTPRZ1HDAC1KIF11
SCHEMBL30745904 0.73 PTPRZ1 (0.72) PTPRZ1PTPN1MAOB
SCHEMBL4726846 0.72 KIF11 (0.51) EPHX2NR1H4PTPRZ1NR1H2NR1H3
Hydrochloric Acid SCHEMBL30745902 0.72 PTPRZ1 (0.61) EPHX2NR1H4PTPRZ1HDAC3HDAC1
SCHEMBL2283424 0.70 EPHX2 (0.73) EPHX2NR1H4PTPRZ1HDAC3HDAC1
SCHEMBL2913661 0.69 HRH3 (0.52) HDAC3ALDH1A1PLA2G10PLA2G2A
SCHEMBL2745655 0.69 TRPV1 (0.49) EPHX2NR1H4PTPRZ1KIF11TRPV1

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
CN-117682973-A Sulfonamide compound and medical application thereof 中国药科大学 2024-03-12 CN disclosed