SCHEMBL21856330

SCHEMBL21856330

O=CCN1CCC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.52
▸ GAA P10253 1/20 0.47
▸ PHGDH O43175 2/20 0.47
▸ CCR2 P41597 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MLNR O43193 2/20 0.43

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
SCHEMBL21856366 0.82 DCUN1D1 (0.49) ROCK2KMT2AMEN1UBE2MDCUN1D1
SCHEMBL21959809 0.80 EPHX2 (0.50) ROCK2GAAPHGDHKMT2AEPHX2
SCHEMBL19101438 0.78 PHGDH (0.52) ROCK2PHGDHKMT2AEPHX2MEN1
SCHEMBL15120074 0.78 PHGDH (0.54) ROCK2PHGDHKMT2AEPHX2LMNA
SCHEMBL21958173 0.78 KMT2A (0.62) PHGDHCCR2KCNH2KMT2AEPHX2
SCHEMBL21958193 0.78 KMT2A (0.62) PHGDHCCR2KCNH2KMT2AEPHX2
SCHEMBL21856338 0.78 PHGDH (0.46) ROCK2PHGDHCCR2KCNH2KMT2A
SCHEMBL21856333 0.78 PHGDH (0.46) ROCK2PHGDHCCR2KCNH2KMT2A
SCHEMBL21856359 0.78 PHGDH (0.46) ROCK2PHGDHCCR2KCNH2KMT2A
SCHEMBL11577402 0.77 UBE2M (0.63) ROCK2PHGDHKMT2AEPHX2MEN1

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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