SCHEMBL23592103

SCHEMBL23592103

C=CC(=O)Nc1ccccc1Nc1ccc(C23CC4CC(C2)C(C)C(C4)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 5/20 0.39
▸ MAP3K7 O43318 3/20 0.39
▸ FGFR1 P11362 3/20 0.39
▸ SRC P12931 3/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ MAPK3 P27361 5/20 0.38
▸ EPAS1 Q99814 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TGM6 O95932 1/20 0.36
▸ F13A1 P00488 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ TGM1 P22735 1/20 0.36

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
SCHEMBL23591772 0.90 EPHX2 (0.54) EPHX2NPC1MAPK1MAP3K7FGFR1
SCHEMBL22453625 0.78 EPHX2 (0.45) EPHX2NPC1LMNAMAPTHIF1A
SCHEMBL25782484 0.76 MAPK1 (0.38) EPHX2NPC1MAPK1MAP3K7FGFR1
SCHEMBL22452479 0.73 EPHX2 (0.50) EPHX2NPC1LMNAMAPTHIF1A
SCHEMBL11306215 0.71 TGM2 (0.65) NPC1MAPK1MAP3K7FGFR1SRC
SCHEMBL1961608 0.71 TGM2 (0.67) SRCLMNAMAPTMAPK3EGFR
SCHEMBL22452506 0.69 EPHX2 (0.46) EPHX2NPC1MAPTHIF1AEPAS1
SCHEMBL11306206 0.68 TGM2 (0.68) NPC1MAPK1FGFR1MAPTMAPK3
SCHEMBL31555348 0.68 HIF1A (0.60) EPHX2NPC1LMNAMAPTHIF1A
SCHEMBL22452498 0.68 HIF1A (0.60) EPHX2NPC1LMNAMAPTHIF1A

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-2021133896-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 — — WO disclosed
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