SCHEMBL21856331

SCHEMBL21856331

Cc1c(N[C@@H]2CCN(C=CC=O)C2)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ SCD O00767 2/20 0.38
▸ MAPK3 P27361 7/20 0.35
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL21856350 0.89 SCD (0.38) SCDMAPK3PKMMAPTMEN1
SCHEMBL21856345 0.83 MAPK1 (0.37) SCDMAPK3PKMMAPT
SCHEMBL21856343 0.78 TAS2R14 (0.37) TAS2R14MEN1KMT2A
SCHEMBL21856323 0.76 IDH2 (0.45) MEN1KMT2A
SCHEMBL27760934 0.76 LCK (0.47) TAS2R14SCDLCKKDRMAPK14
SCHEMBL21958168 0.76 TEAD1 (0.54) MAPK3
SCHEMBL21856309 0.74 SPR (0.43) —
SCHEMBL21856319 0.73 ALDH1A1 (0.42) MAPTMEN1KMT2A
SCHEMBL21856349 0.73 DDB1 (0.47) MAPTKMT2A
SCHEMBL21856357 0.72 RHOC (0.40) MEN1KMT2A

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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