SCHEMBL21856326

SCHEMBL21856326

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 3/20 0.42
▸ RHOA P61586 3/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ BTK Q06187 5/20 0.37
▸ SPR P35270 1/20 0.36
▸ DCUN1D1 Q96GG9 5/20 0.35
▸ UBE2M P61081 4/20 0.35
▸ SLC13A3 Q8WWT9 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ TEC P42680 1/20 0.34
▸ TXK P42681 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ RET P07949 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL21856357 0.92 RHOC (0.40) RHOCRHOADCUN1D1UBE2MCSF1R
SCHEMBL21856348 0.83 PABPC1 (0.40) RHOADCUN1D1UBE2MHDAC3HDAC1
SCHEMBL21856323 0.82 IDH2 (0.45) DCUN1D1UBE2M
SCHEMBL21856354 0.81 EGFR (0.39) RHOCRHOABTK
SCHEMBL21856314 0.81 DDR1 (0.39) CSF1R
SCHEMBL21856319 0.80 ALDH1A1 (0.42) DCUN1D1UBE2M
SCHEMBL21856365 0.78 BRAF (0.36) RHOCRHOACSF1R
SCHEMBL21958755 0.76 TEAD1 (0.55) RHOCRHOABTKSPRDCUN1D1
SCHEMBL21958158 0.76 TEAD1 (0.55) RHOCRHOABTKSPRDCUN1D1
SCHEMBL21856309 0.73 SPR (0.43) SPR

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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