SCHEMBL31079010

SCHEMBL31079010

O=C1NC(=O)C(c2ccc(Br)cc2)(C(F)(F)F)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.37
AKR1A1 P14550 1/20 0.37
MMP13 P45452 1/20 0.36
CACNA1F O60840 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL31079070 0.83 CYP19A1 (0.37) AKR1B1CACNA1FALDH1A1MAPTCYP2C9
SCHEMBL14101183 0.82 CYP2C9 (0.53) AKR1B1CACNA1FALDH1A1MAPTCYP2C9
SCHEMBL1968442 0.79 TSHR (0.48) AKR1B1AKR1A1MMP13MMP2MMP9
SCHEMBL27224364 0.72 CYP2C9 (0.64) AKR1B1AKR1A1CACNA1FALDH1A1MAPT
SCHEMBL204119 0.69 LMNA (0.51) AKR1B1MMP13CACNA1FALDH1A1MAPT
SCHEMBL4385865 0.69 LMNA (0.51) AKR1B1MMP13CACNA1FALDH1A1MAPT
SCHEMBL6135313 0.69 LMNA (0.51) AKR1B1MMP13CACNA1FALDH1A1MAPT
SCHEMBL31078922 0.67 SCN4A (0.47) ALDH1A1MAPTCYP2C9SCN4ABLM
SCHEMBL10521989 0.67 CYP2C9 (0.79) AKR1B1AKR1A1CACNA1FALDH1A1MAPT
SCHEMBL14581598 0.66 CA1 (0.37)

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
EP-4651872-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-11-26 EP disclosed
WO-2024155601-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-07-25 WO disclosed