SCHEMBL29648296

SCHEMBL29648296

C=C(C)c1ccc(-c2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc2Nc2ccc(C(F)(F)F)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 2/20 0.39
▸ CCR6 P51684 1/20 0.38
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL24496262 1.00 BMP1 (0.39) BMP1CCR6MMP1MMP9MMP13
SCHEMBL24496004 0.91 BMP1 (0.39) BMP1CCR6MMP1MMP9MMP13
SCHEMBL29648328 0.86 CCR6 (0.38) BMP1CCR6MMP1MMP9MMP13
SCHEMBL24496286 0.86 CCR6 (0.38) BMP1CCR6MMP1MMP9MMP13
SCHEMBL22718255 0.86 MMP1 (0.40) BMP1CCR6MMP1MMP9MMP13
SCHEMBL29438883 0.86 MMP1 (0.40) BMP1CCR6MMP1MMP9MMP13
SCHEMBL24496289 0.84 MAPK8 (0.36) MAPTLMNAALDH1A1SMN1; SMN2HDAC3
SCHEMBL29648298 0.84 MAPK8 (0.36) MAPTLMNAALDH1A1SMN1; SMN2HDAC3
SCHEMBL22718251 0.83 TEAD1 (0.49) BMP1CCR6MMP1MMP9MMP13
SCHEMBL29438915 0.83 TEAD1 (0.49) BMP1CCR6MMP1MMP9MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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