SCHEMBL26497743

SCHEMBL26497743

C=CC(=O)N1CCN(c2ncccc2C(O)c2ccc(C(C)(F)F)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ HSD11B1 P28845 3/20 0.40
▸ F13A1 P00488 2/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ TGM1 P22735 2/20 0.40
▸ TGM3 Q08188 1/20 0.38
▸ KRAS P01116 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL30591829 0.92 F13A1 (0.43) GAAHSD11B1F13A1TGM2TGM1
SCHEMBL30592035 0.80 TRPV1 (0.44) GAAHSD11B1TRPV1CYP3A4
SCHEMBL26497738 0.79 GAA (0.42) GAAHSD11B1F13A1TGM2TGM1
SCHEMBL26496957 0.75 BTK (0.42) GAAHSD11B1F13A1TGM2TGM1
SCHEMBL26106788 0.74 HSD11B1 (0.41) HSD11B1F13A1TGM2TGM1TRPV1
SCHEMBL26107616 0.74 HSD11B1 (0.41) HSD11B1F13A1TGM2TGM1TRPV1
SCHEMBL30591832 0.74 EPHX2 (0.52) HSD11B1TRPV1CYP3A4
SCHEMBL31474447 0.72 RBP4 (0.46) GAAHSD11B1F13A1TGM2TGM1
SCHEMBL26497733 0.71 TRPV1 (0.44) GAAHSD11B1KRASTRPV1
SCHEMBL30591753 0.71 HSD11B1 (0.44) GAAHSD11B1F13A1TGM2TGM1

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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