SCHEMBL31329652

SCHEMBL31329652

Cc1ncnc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
GLRA1 P23415 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
SCHEMBL25035275 0.84 LMNA (0.55) PTPN1LMNAHPGDALDH1A1KDM4E
SCHEMBL31394853 0.84 LMNA (0.55) PTPN1LMNAHPGDALDH1A1KDM4E
SCHEMBL30037690 0.83 ALDH1A1 (0.46) PTPN1LMNAHPGDALDH1A1KDM4E
SCHEMBL25037377 0.83 ALDH1A1 (0.46) PTPN1LMNAHPGDALDH1A1KDM4E
SCHEMBL31645687 0.74
SCHEMBL26043758 0.72 LMNA (0.46) PTPN1LMNAHPGDALDH1A1TSHR
SCHEMBL23860317 0.72 LMNA (0.46) PTPN1LMNAHPGDALDH1A1RAB9A
SCHEMBL23860315 0.72 LMNA (0.48) PTPN1LMNAHPGDALDH1A1TSHR
SCHEMBL4326071 0.71 LMNA (0.58) LMNAHPGDALDH1A1KDM4ETSHR
SCHEMBL23866770 0.71 CYP19A1 (0.44) PTPN1LMNAHPGDALDH1A1KDM4E

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-4747253-A1 SPIROCYCLIC WRN HELICASE INHIBITORS Merck Sharp & Dohme LLC (US) 2026-05-27 EP disclosed
WO-2025014846-A1 SPIROCYCLIC WRN HELICASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-01-16 WO disclosed