SCHEMBL29648301

SCHEMBL29648301

O=S(=O)(NCC(F)(F)F)c1ccc(F)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 11/20 0.46
PNMT P11086 5/20 0.46
ALDH1A1 P00352 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL24496339 1.00 IDH2 (0.46) IDH2PNMTALDH1A1CA12CA1
SCHEMBL20155326 0.81 ALDH1A1 (0.59) PNMTALDH1A1CA1CA2CA9
SCHEMBL10290708 0.80 PNMT (0.45) IDH2PNMTALDH1A1CA12CA1
SCHEMBL25277539 0.79 CYP3A4 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL3013616 0.78 CA1 (0.51) PNMTALDH1A1CA12CA1CA2
SCHEMBL29648426 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL24496279 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL15647830 0.78 VCAM1 (0.58) IDH2PNMTALDH1A1
SCHEMBL2542954 0.78 IDH2 (0.52) IDH2PNMT
SCHEMBL15646664 0.77 VCAM1 (0.47) PNMTALDH1A1

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