SCHEMBL21856323

SCHEMBL21856323

O=CC=CN1CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ DCUN1D1 Q96GG9 4/20 0.43
▸ UBE2M P61081 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MALT1 Q9UDY8 2/20 0.43
▸ PHGDH O43175 4/20 0.42
▸ MLNR O43193 2/20 0.42
▸ TEAD1 P28347 2/20 0.42

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
SCHEMBL21959807 0.89 IDH2 (0.47) IDH2EPHX2DCUN1D1UBE2MMEN1
SCHEMBL21856357 0.88 RHOC (0.40) IDH2EPHX2DCUN1D1UBE2MMEN1
SCHEMBL21856354 0.82 EGFR (0.39) IDH2
SCHEMBL21856326 0.82 RHOC (0.42) DCUN1D1UBE2M
SCHEMBL21959809 0.82 EPHX2 (0.50) IDH2EPHX2MEN1KMT2AMALT1
SCHEMBL21856309 0.82 SPR (0.43) —
SCHEMBL21958711 0.81 MALT1 (0.46) IDH2EPHX2MEN1KMT2AMALT1
SCHEMBL21856319 0.81 ALDH1A1 (0.42) DCUN1D1UBE2MMEN1KMT2A
SCHEMBL21856343 0.81 TAS2R14 (0.37) IDH2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL21856348 0.80 PABPC1 (0.40) EPHX2DCUN1D1UBE2MKMT2A

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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