SCHEMBL19505804

SCHEMBL19505804

COC(=O)C1CC(OS(=O)(=O)C(F)(F)F)=CN1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MMP2 P08253 6/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PDK2 Q15119 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL19505802 1.00 KMT2A (0.44) KMT2AMMP2ANPEPMEN1ALDH1A1
SCHEMBL19506184 0.91 CA12 (0.35) KMT2AMMP2ANPEPMEN1ALDH1A1
SCHEMBL19475623 0.88 ELOVL6 (0.36) KMT2AGAA
SCHEMBL19506085 0.85 ALDH1A1 (0.35) KMT2AMMP2ANPEPALDH1A1PDK2
SCHEMBL19506186 0.84 PKM (0.43) KMT2AMMP2ANPEPALDH1A1POLB
SCHEMBL14672225 0.82 NR1H2 (0.39) KMT2AMMP2ANPEPMEN1
SCHEMBL14663320 0.82 NR1H2 (0.39) KMT2AMMP2ANPEPMEN1
SCHEMBL30181072 0.82 NR1H2 (0.39) KMT2AMMP2ANPEPMEN1
SCHEMBL19505789 0.79 GRM5 (0.32) KMT2AMEN1
SCHEMBL19506080 0.78 KMT2A (0.33) KMT2AMMP2ANPEPMEN1ALDH1A1

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
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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