SCHEMBL31662419

SCHEMBL31662419

O=C(O)c1cc(Br)c2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.46
▸ NOS1 P29475 3/20 0.44
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ DYRK1B Q9Y463 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 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
SCHEMBL30971340 0.85 MAP2K1 (0.45) NOS1TSHRCTNNB1WNT3ADYRK1B
SCHEMBL15683151 0.81 KDM4E (0.44) NOS1ALOX15TSHRPOLBACACB
SCHEMBL11577272 0.81 PLK4 (0.44) ALOX15TSHRHIF1AHCAR2CTNNB1
SCHEMBL1144199 0.81 CA12 (0.45) ALOX15TSHRHIF1APOLBCTNNB1
SCHEMBL551333 0.79 ACACB (0.48) ACACBACACA
SCHEMBL1144369 0.79 TTR (0.46) TTRNOS1ALOX15TSHRHIF1A
SCHEMBL1145116 0.77 ACACB (0.42) ALOX15TSHRHIF1AHCAR2CTNNB1
SCHEMBL1145055 0.76 CA12 (0.50) TSHRTPMTACACBACACA
SCHEMBL2672110 0.76 RXRA (0.55) ALOX15TSHRHIF1ACTNNB1WNT3A
SCHEMBL11577531 0.74 NOS1 (0.53) NOS1TSHRCHEK1FGFR1MEN1

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
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 — — WO disclosed
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