SCHEMBL21856366

SCHEMBL21856366

O=CCCN1CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DCUN1D1 Q96GG9 9/20 0.49
▸ UBE2M P61081 7/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ROCK2 O75116 1/20 0.48
▸ IDH2 P48735 1/20 0.46
▸ TEAD1 P28347 2/20 0.45
▸ MLNR O43193 2/20 0.45
▸ CARM1 Q86X55 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45

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
SCHEMBL11577402 0.82 UBE2M (0.63) DCUN1D1UBE2MMEN1KMT2AROCK2
SCHEMBL21856330 0.82 ROCK2 (0.52) DCUN1D1UBE2MMEN1KMT2AROCK2
SCHEMBL21959807 0.80 IDH2 (0.47) DCUN1D1UBE2MMEN1KMT2AIDH2
SCHEMBL24781281 0.78 IDH2 (0.62) DCUN1D1UBE2MMEN1KMT2AIDH2
SCHEMBL4750850 0.77 DRD2 (0.63) DCUN1D1UBE2MMEN1KMT2AIDH2
SCHEMBL21856323 0.77 IDH2 (0.45) DCUN1D1UBE2MMEN1KMT2AIDH2
SCHEMBL24781034 0.75 IDH2 (0.50) DCUN1D1UBE2MMEN1KMT2AROCK2
SCHEMBL21959809 0.75 EPHX2 (0.50) MEN1KMT2AROCK2IDH2TEAD1
SCHEMBL21856317 0.75 IDH2 (0.43) DCUN1D1UBE2MMEN1KMT2AIDH2
SCHEMBL12969653 0.75 IDH2 (0.73) DCUN1D1UBE2MMEN1KMT2AIDH2

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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