SCHEMBL21856317

SCHEMBL21856317

O=CC(Cl)N1CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.43
▸ MLNR O43193 2/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ UBE2M P61081 5/20 0.42
▸ DCUN1D1 Q96GG9 5/20 0.42
▸ MALT1 Q9UDY8 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PHGDH O43175 4/20 0.41
▸ TEAD1 P28347 2/20 0.41

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
SCHEMBL21856338 0.93 PHGDH (0.46) IDH2MLNREPHX2MALT1KMT2A
SCHEMBL21856359 0.93 PHGDH (0.46) IDH2MLNREPHX2MALT1KMT2A
SCHEMBL21856333 0.93 PHGDH (0.46) IDH2MLNREPHX2MALT1KMT2A
SCHEMBL21856302 0.92 EPHX2 (0.45) IDH2MLNREPHX2MALT1KMT2A
SCHEMBL21856340 0.91 MALT1 (0.43) IDH2MLNREPHX2UBE2MDCUN1D1
SCHEMBL21959807 0.80 IDH2 (0.47) IDH2MLNREPHX2UBE2MDCUN1D1
SCHEMBL24781071 0.80 TEAD1 (0.45) IDH2MLNREPHX2UBE2MDCUN1D1
SCHEMBL17422607 0.78 RHOC (0.46) MLNREPHX2PHGDHTEAD1
SCHEMBL21856360 0.78 IDH2 (0.41) IDH2MLNREPHX2UBE2MDCUN1D1
SCHEMBL21856323 0.77 IDH2 (0.45) IDH2MLNREPHX2UBE2MDCUN1D1

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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