SCHEMBL21856343

SCHEMBL21856343

Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCN(C=CC=O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CSF1R P07333 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ IL1B P01584 5/20 0.36
▸ NLRP3 Q96P20 2/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TEAD1 P28347 4/20 0.34
▸ IDH2 P48735 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
SCHEMBL21856319 0.87 ALDH1A1 (0.42) MAPK1NPSR1UBE2MDCUN1D1MEN1
SCHEMBL21856349 0.86 DDB1 (0.47) MAPK1NPSR1FFAR4KMT2A
SCHEMBL21856323 0.81 IDH2 (0.45) UBE2MDCUN1D1MEN1KMT2ATEAD1
SCHEMBL21856357 0.80 RHOC (0.40) CSF1RUBE2MDCUN1D1MEN1KMT2A
SCHEMBL21856331 0.78 TAS2R14 (0.39) TAS2R14MEN1KMT2A
SCHEMBL21856350 0.76 SCD (0.38) MEN1KMT2A
SCHEMBL21958248 0.76 TEAD1 (0.60) TEAD1
SCHEMBL21856354 0.75 EGFR (0.39) TAS2R14IDH2
SCHEMBL21856326 0.75 RHOC (0.42) CSF1RFFAR4UBE2MDCUN1D1
SCHEMBL26108320 0.73 TRPV1 (0.38) —

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-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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