SCHEMBL21856359

SCHEMBL21856359

O=C[C@@H](Cl)N1CCC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MALT1 Q9UDY8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MLNR O43193 2/20 0.40
▸ TEAD1 P28347 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ TEAD2 Q15562 1/20 0.40
▸ TEAD3 Q99594 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL21856333 1.00 PHGDH (0.46) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL21856338 1.00 PHGDH (0.46) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL21856302 0.97 EPHX2 (0.45) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL21856317 0.93 IDH2 (0.43) PHGDHKMT2AEPHX2MALT1MLNR
SCHEMBL21856340 0.89 MALT1 (0.43) EPHX2LMNAMALT1MLNRTEAD1
SCHEMBL19101438 0.79 PHGDH (0.52) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL21959809 0.78 EPHX2 (0.50) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL21856330 0.78 ROCK2 (0.52) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL15120074 0.77 PHGDH (0.54) PHGDHKMT2AEPHX2ROCK2LMNA
SCHEMBL21856363 0.76 SLC6A2 (0.46) KMT2AEPHX2

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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