SCHEMBL21958748

SCHEMBL21958748

C=CC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2Cl)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 11/20 0.60
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KRAS P01116 2/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL21958155 1.00 TEAD1 (0.60) TEAD1KDM4ETDP1ALDH1A1KRAS
SCHEMBL25785411 0.89 TEAD1 (0.48) TEAD1KRASJAK3
SCHEMBL21958248 0.87 TEAD1 (0.60) TEAD1KRASJAK3
SCHEMBL21958962 0.84 TEAD1 (0.57) TEAD1KRAS
SCHEMBL21958174 0.84 TEAD1 (0.57) TEAD1KRAS
SCHEMBL24780719 0.80 TEAD1 (0.71) TEAD1
SCHEMBL21957254 0.80 TEAD1 (0.71) TEAD1
SCHEMBL21958163 0.80 TEAD1 (0.71) TEAD1
SCHEMBL21958157 0.79 TEAD1 (0.60) TEAD1KRASJAK3
SCHEMBL21958183 0.79 TEAD1 (0.60) TEAD1KRASJAK3

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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