SCHEMBL28548918

SCHEMBL28548918

CC(C)(O)CCn1cc2cc([N+](=O)[O-])cc(Br)c2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.39
NQO2 P16083 1/20 0.38
IRAK1 P51617 2/20 0.38
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLT3 P36888 1/20 0.32
ATM Q13315 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
GRK5 P34947 1/20 0.32
LIMK1 P53667 1/20 0.32

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
SCHEMBL28544051 0.81 IRAK4 (0.42) IRAK4IRAK1MAPTALDH1A1POLB
SCHEMBL15910992 0.81 NQO2 (0.43) NQO2MAPTALDH1A1POLBCYP3A4
SCHEMBL30506082 0.81 PABPC1 (0.41) IRAK4NQO2MAPTALDH1A1POLB
SCHEMBL28551229 0.79 IRAK4 (0.40) IRAK4IRAK1FLT3
SCHEMBL31324373 0.78 IRAK4 (0.36) IRAK4IRAK1MAPTFLT3CHEK1
SCHEMBL31217375 0.78 NQO2 (0.41) NQO2MAPTALDH1A1POLBCYP3A4
SCHEMBL15910493 0.76 MAPT (0.51) NQO2MAPTALDH1A1POLBCYP3A4
SCHEMBL25941155 0.76 IRAK4 (0.42) IRAK4IRAK1MAPTALDH1A1POLB
SCHEMBL15910682 0.76 NQO2 (0.43) NQO2MAPTALDH1A1POLBCYP3A4
SCHEMBL25592539 0.72 NQO2 (0.36) NQO2MAPTALDH1A1CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737451-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Dong Wha Pharm. Co., Ltd. (KR) 2026-05-06 EP disclosed
WO-2025003988-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 WO disclosed
WO-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 WO disclosed
CN-112654604-B 7-substituted indazole derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2023-05-16 CN disclosed
CN-112654604-A 7-substituted indazole derivatives, preparation method and medical application thereof 浙江海正药业股份有限公司 2021-04-13 CN disclosed