SCHEMBL28358558

SCHEMBL28358558

O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
PTGS2 P35354 3/20 0.72
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 5/20 0.63
NLRP3 Q96P20 1/20 0.63
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAOB P27338 1/20 0.53
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
PIK3CG P48736 3/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL28358559 0.87 PTGS2 (0.68) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL11250330 0.86 POLB (1.00) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL30511886 0.85 POLB (0.97) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL28358360 0.84 PTGS2 (0.94) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3447906 0.84 PTGS2 (1.00) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL5820153 0.83 POLB (0.73) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL23928527 0.81 PTGS2 (0.80) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL11243639 0.81 POLB (0.89) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL11254624 0.81 PTGS2 (0.80) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL23392558 0.81 PTGS2 (0.86) POLBPTGS2KMT2AALDH1A1SMN1; SMN2

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
CN-110746355-B Phenylpyrazole compound, pharmaceutical composition, and preparation method and application thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed
CN-110746355-A Phenylpyrazole compound, pharmaceutical composition, preparation method and application thereof 中国科学院上海有机化学研究所 2020-02-04 CN disclosed