SCHEMBL22109503

SCHEMBL22109503

Cc1ccc(P(C)C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.38
ACHE P22303 4/20 0.36
CYP2A6 P11509 3/20 0.36
CYP1A2 P05177 2/20 0.36
TDP1 Q9NUW8 5/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL6793057 0.78 ALDH1A1 (0.42) NFE2L2ACHECYP2A6CYP1A2TDP1
SCHEMBL20811520 0.77 NFE2L2 (0.38) NFE2L2ACHECYP2A6TDP1SMN1; SMN2
SCHEMBL19929310 0.76 NFE2L2 (0.46) NFE2L2ACHECYP2A6CYP1A2THRB
SCHEMBL17529908 0.75 TDP1 (0.44) ACHECYP2A6CYP1A2TDP1TP53
SCHEMBL25449169 0.71 TDP1 (0.54) ACHECYP2A6CYP1A2TDP1TP53
SCHEMBL29441288 0.71
SCHEMBL130515 0.71
SCHEMBL11308895 0.70 TDP1 (0.44) ACHECYP2A6CYP1A2TDP1TP53
Ammonia Solution, Strong SCHEMBL20593640 0.69 NFE2L2 (0.60) NFE2L2ACHECYP2A6CYP1A2TDP1
SCHEMBL13520606 0.69 GRM2 (0.44) NFE2L2ACHECYP2A6CYP1A2TDP1

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
EP-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed
WO-2020124060-A1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2020-06-18 WO disclosed