SCHEMBL21856302

SCHEMBL21856302

O=C[C@@H](Cl)N1CCCC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ PHGDH O43175 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ MALT1 Q9UDY8 2/20 0.40
▸ CTSC P53634 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MLNR O43193 2/20 0.40
▸ TEAD1 P28347 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ TEAD2 Q15562 1/20 0.39
▸ TEAD3 Q99594 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ IDH2 P48735 1/20 0.39

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
SCHEMBL21856359 0.97 PHGDH (0.46) EPHX2PHGDHLMNAKMT2AMALT1
SCHEMBL21856338 0.97 PHGDH (0.46) EPHX2PHGDHLMNAKMT2AMALT1
SCHEMBL21856333 0.97 PHGDH (0.46) EPHX2PHGDHLMNAKMT2AMALT1
SCHEMBL21856317 0.92 IDH2 (0.43) EPHX2PHGDHKMT2AMALT1MLNR
SCHEMBL21856340 0.88 MALT1 (0.43) EPHX2LMNAMALT1MLNRTEAD1
SCHEMBL21959809 0.82 EPHX2 (0.50) EPHX2PHGDHLMNAKMT2AMALT1
SCHEMBL19101438 0.76 PHGDH (0.52) EPHX2PHGDHLMNAKMT2AMALT1
SCHEMBL21958162 0.75 TEAD1 (0.61) EPHX2PHGDHKMT2ARAB9ATEAD1
SCHEMBL21856330 0.75 ROCK2 (0.52) EPHX2PHGDHLMNAKMT2AMLNR
SCHEMBL21959807 0.75 IDH2 (0.47) EPHX2PHGDHKMT2AMALT1MLNR

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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