SCHEMBL31416740

SCHEMBL31416740

Brc1cnn2cc(OCc3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 4/20 0.42
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL2351198 0.80 MAOB (0.45) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL31487543 0.80 PLK4 (0.47) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL30725889 0.80 MAOB (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17437917 0.80 ALKBH1 (0.53) MAOBP4HTMMEN1KMT2AALKBH1
SCHEMBL25421596 0.79 PLK4 (0.41) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL31487828 0.79 EPHB3 (0.54) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL17454404 0.79 MAOB (0.54) SMN1; SMN2PTGS1CYP2C19PTGS2MAPT
SCHEMBL1324201 0.76 EPHB3 (0.46) RAB9ASMN1; SMN2NPC1LMNAMAOB
SCHEMBL19902366 0.76 MAPT (0.46) RAB9ASMN1; SMN2MAPTMAOBGAA
SCHEMBL24566333 0.75 ABCB1 (0.46) RAB9ANPC1LMNAMAOBMAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746964-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2026046976-A1 PYRAZOLOPYRIDINE PHOSPHATE ESTERS FOR MODULATING SALT-INDUCIBLE KINASE (SIK) F. HOFFMANN-LA ROCHE AG (CH) 2026-03-05 WO disclosed
WO-2025089370-A1 COMPOUNDS AS CSF1R INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-05-01 WO disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed