SCHEMBL21856357

SCHEMBL21856357

O=CC=CN1CC[C@@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 2/20 0.40
▸ RHOA P61586 2/20 0.40
▸ CXCR3 P49682 4/20 0.34
▸ PAK1 Q13153 3/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PAK3 O75914 1/20 0.34
▸ PAK2 Q13177 1/20 0.34
▸ TEAD1 P28347 2/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ UBE2M P61081 2/20 0.33
▸ DCUN1D1 Q96GG9 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL21856326 0.92 RHOC (0.42) RHOCRHOACSF1RUBE2MDCUN1D1
SCHEMBL21856348 0.89 PABPC1 (0.40) RHOAUBE2MDCUN1D1EPHX2KMT2A
SCHEMBL21856323 0.88 IDH2 (0.45) TEAD1IDH2UBE2MDCUN1D1EPHX2
SCHEMBL21856354 0.87 EGFR (0.39) RHOCRHOAIDH2
SCHEMBL21856314 0.86 DDR1 (0.39) CSF1RIDH2
SCHEMBL21856365 0.83 BRAF (0.36) RHOCRHOACXCR3CSF1R
SCHEMBL21856343 0.80 TAS2R14 (0.37) CSF1RTEAD1IDH2UBE2MDCUN1D1
SCHEMBL21856319 0.80 ALDH1A1 (0.42) UBE2MDCUN1D1MEN1KMT2A
SCHEMBL21856309 0.77 SPR (0.43) CA12CA1CA2CA4CA7
SCHEMBL21959807 0.75 IDH2 (0.47) TEAD1IDH2UBE2MDCUN1D1EPHX2

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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