SCHEMBL21856340

SCHEMBL21856340

O=C[C@H](Cl)N1CC(Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.43
▸ EGFR P00533 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ MLNR O43193 2/20 0.39
▸ TEAD1 P28347 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ TEAD2 Q15562 1/20 0.39
▸ TEAD3 Q99594 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38

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
SCHEMBL21856317 0.91 IDH2 (0.43) MALT1EPHX2MLNRTEAD1IDH2
SCHEMBL21856359 0.89 PHGDH (0.46) MALT1EPHX2MLNRTEAD1TEAD4
SCHEMBL21856338 0.89 PHGDH (0.46) MALT1EPHX2MLNRTEAD1TEAD4
SCHEMBL21856333 0.89 PHGDH (0.46) MALT1EPHX2MLNRTEAD1TEAD4
SCHEMBL21856302 0.88 EPHX2 (0.45) MALT1EPHX2MLNRTEAD1TEAD4
SCHEMBL21958711 0.80 MALT1 (0.46) MALT1EGFREPHX2TEAD1TEAD4
SCHEMBL21958713 0.73 EGFR (0.66) EGFREPHX2TEAD1DCUN1D1
SCHEMBL21959807 0.73 IDH2 (0.47) MALT1EPHX2MLNRTEAD1IDH2
SCHEMBL1420520 0.73 MALT1 (0.66) MALT1EPHX2IDH2LMNAALDH1A1
SCHEMBL24781682 0.73 EPHX2 (0.60) EGFREPHX2MLNRLMNAUBE2M

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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