SCHEMBL30736877

SCHEMBL30736877

COC(=O)c1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.58
▸ CFTR P13569 4/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CES2 O00748 1/20 0.46
▸ SOS1 Q07889 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MBOAT4 Q96T53 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL155135 1.00 NOTUM (0.58) NOTUMCFTRNR4A2GAAALDH1A1
SCHEMBL23791810 0.89 NOTUM (0.49) NOTUMCFTRNR4A2GAAALDH1A1
SCHEMBL516822 0.87 NOTUM (0.54) NOTUMCFTRNR4A2GAAALDH1A1
SCHEMBL1995951 0.81 CES2 (0.71) NOTUMCFTRALDH1A1CES2HSD17B10
SCHEMBL696154 0.81 NOTUM (0.51) NOTUMCFTRALDH1A1CES2SOS1
SCHEMBL24436898 0.81 CA12 (0.61) NOTUMCFTRGAACES2SOS1
SCHEMBL18159377 0.81 CYP46A1 (0.53) NOTUMCFTRNR4A2GAACES2
SCHEMBL22716761 0.81 NR4A2 (0.46) NOTUMNR4A2GAAALDH1A1SMN1; SMN2
SCHEMBL28021177 0.80 CYP1A2 (0.53) NOTUMGAAALDH1A1CES2TMPRSS4
SCHEMBL2482051 0.80 NR4A2 (0.54) NR4A2GAAALDH1A1CES2SMN1; SMN2

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
EP-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
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