SCHEMBL30689795

SCHEMBL30689795

COC(=O)c1cccc(C(F)(F)F)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.52
NOTUM Q6P988 2/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.44
CFTR P13569 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RBP4 P02753 1/20 0.43
MAOB P27338 1/20 0.43
SOS1 Q07889 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL22403860 1.00 TAS2R14 (0.52) TAS2R14NOTUMLMNAGAATSHR
SCHEMBL28937988 0.87 TAS2R14 (0.50) TAS2R14NOTUMLMNAGAASMN1; SMN2
SCHEMBL45490 0.82 LMNA (0.59) NOTUMLMNAGAATSHRCFTR
SCHEMBL987813 0.82 TSHR (0.57) LMNATSHRCFTRSMN1; SMN2ALDH1A1
SCHEMBL1508457 0.81 LMNA (0.50) TAS2R14NOTUMLMNAGAATSHR
SCHEMBL5239843 0.81 CTSS (0.51) TAS2R14NOTUMLMNAGAATSHR
SCHEMBL726068 0.81 TAS2R14 (0.54) TAS2R14NOTUMLMNAGAATSHR
SCHEMBL2473776 0.81 TAS2R14 (0.53) TAS2R14NOTUMLMNAGAASMN1; SMN2
SCHEMBL31693161 0.81 TAS2R14 (0.53) TAS2R14NOTUMLMNAGAASMN1; SMN2
SCHEMBL10391427 0.80 LMNA (0.45) TAS2R14NOTUMLMNAGAATSHR

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-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 EP disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO disclosed