SCHEMBL21959809

SCHEMBL21959809

O=CN1CCCCC(Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ PHGDH O43175 2/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TEAD1 P28347 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ TEAD3 Q99594 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ IDH2 P48735 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 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 0.93 IDH2 (0.47) EPHX2PHGDHKMT2AMALT1MEN1
SCHEMBL21958711 0.87 MALT1 (0.46) EPHX2LMNAKMT2ARAB9AMALT1
SCHEMBL21856302 0.82 EPHX2 (0.45) EPHX2LMNAPHGDHKMT2ARAB9A
SCHEMBL21856323 0.82 IDH2 (0.45) EPHX2PHGDHKMT2AMALT1MEN1
SCHEMBL21958162 0.81 TEAD1 (0.61) EPHX2PHGDHKMT2ARAB9AMEN1
SCHEMBL21856330 0.80 ROCK2 (0.52) EPHX2LMNAPHGDHKMT2AMEN1
SCHEMBL12076535 0.80 EPHX2 (0.63) EPHX2LMNAKMT2ARAB9AMALT1
SCHEMBL19101438 0.79 PHGDH (0.52) EPHX2LMNAPHGDHKMT2AMALT1
SCHEMBL15120074 0.79 PHGDH (0.54) EPHX2LMNAPHGDHKMT2AMALT1
SCHEMBL21856338 0.78 PHGDH (0.46) EPHX2LMNAPHGDHKMT2AMALT1

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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