SCHEMBL30736748

SCHEMBL30736748

COC(=O)C(C)(C)Oc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 2/20 0.42
S1PR4 O95977 1/20 0.39
ALPL P05186 4/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ATM Q13315 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
SCHEMBL3988132 0.84 AAK1 (0.44) PTGDR2SMN1; SMN2LMNAKMT2ARAB9A
SCHEMBL4399378 0.82 RAB9A (0.50) SMN1; SMN2LMNAKMT2AALOX15RAB9A
SCHEMBL2909237 0.78 LMNA (0.43) SMN1; SMN2LMNAKMT2ARAB9AALDH1A1
SCHEMBL29427047 0.76 S1PR4 (0.44) PTGDR2SMN1; SMN2S1PR4L3MBTL1ALDH1A1
SCHEMBL2273425 0.76 S1PR4 (0.44) PTGDR2SMN1; SMN2S1PR4L3MBTL1ALDH1A1
SCHEMBL21612889 0.75 CFD (0.47) PTGDR2NOTUMS1PR4ALPLUSP2
SCHEMBL849342 0.74 S1PR4 (0.41) PTGDR2NOTUMS1PR4ALPLUSP2
SCHEMBL18512038 0.74 PTGDR2 (0.50) PTGDR2SMN1; SMN2LMNAKMT2AALPL
SCHEMBL21381618 0.73 KDM1A (0.43) PTGDR2S1PR4ALPLL3MBTL1ALDH1A1
SCHEMBL18580869 0.73 NPSR1 (0.45) SMN1; SMN2LMNAKMT2ARAB9AL3MBTL1

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