SCHEMBL31438552

SCHEMBL31438552

O=C(CBr)c1ccc(CO)nc1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ HPGDS O60760 1/20 0.34
▸ GSK3B P49841 7/20 0.33

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
SCHEMBL25190538 1.00 PTPN1 (0.39) PTPN1CCR1HPGDSGSK3B
SCHEMBL31438572 0.82 PTPN1 (0.36) PTPN1HPGDSGSK3B
SCHEMBL21566182 0.79 PTPN1 (0.41) PTPN1HPGDSGSK3B
Bromide SCHEMBL16753263 0.76 GABRP (0.40) PTPN1HPGDSGSK3B
SCHEMBL31438509 0.73 APP (0.37) PTPN1HPGDSGSK3B
SCHEMBL25188090 0.73 APP (0.37) PTPN1HPGDSGSK3B
SCHEMBL19434412 0.73 PTPN1 (0.37) PTPN1HPGDSGSK3B
SCHEMBL28904627 0.71 PTPN1 (0.35) PTPN1HPGDSGSK3B
SCHEMBL18153003 0.71 MAPK8 (0.42) PTPN1HPGDS
SCHEMBL22045433 0.70 PARP1 (0.40) PTPN1GSK3B

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
CN-116134035-B 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2025-03-11 — — CN disclosed
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