SCHEMBL30370273

SCHEMBL30370273

O=C(NC1CCN(C(=O)O)C1)c1nnc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 1/20 0.44
▸ SRPK1 Q96SB4 1/20 0.41
▸ TEAD1 P28347 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ CCR2 P41597 4/20 0.40
▸ PHGDH O43175 2/20 0.40
▸ DRD4 P21917 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
SCHEMBL30370293 0.84 HDAC1 (0.54) TEAD1EPHX2KCNH2USP30
SCHEMBL25305452 0.81 ADCY1 (0.43) ADCY1SRPK1ALDH1A1
SCHEMBL24073585 0.80 HDAC4 (0.46) ADCY1
SCHEMBL25304821 0.78 CTSL (0.42) ADCY1SRPK1ALDH1A1
SCHEMBL24073569 0.78 CTSL (0.41) ADCY1SRPK1ALDH1A1USP30
SCHEMBL24073674 0.78 CTSL (0.41) ADCY1SRPK1ALDH1A1USP30
SCHEMBL24073683 0.78 CTSL (0.41) ADCY1SRPK1ALDH1A1USP30
SCHEMBL25304504 0.77 ADCY1 (0.43) ADCY1ALDH1A1
Trifluoroacetic Acid SCHEMBL30370356 0.76 ADCY1 (0.43) ADCY1SRPK1ALDH1A1
SCHEMBL24073568 0.74 CTSL (0.40) ADCY1SRPK1USP30

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-4157834-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION Mission Therapeutics Limited (GB) 2023-04-05 — — EP disclosed
Send feedback