SCHEMBL26654534

SCHEMBL26654534

COC(=O)C1(Oc2ccc(OC)cc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ AKR1C3 P42330 4/20 0.46
▸ AKR1C2 P52895 4/20 0.46
▸ MAPK1 P28482 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44

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
SCHEMBL3931073 0.84 ALDH1A1 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL31750473 0.84 ALDH1A1 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL18342728 0.80 MEN1 (0.43) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL20693046 0.78 KMT2A (0.37) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL26768026 0.78 CHEK1 (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25344403 0.77 ALDH1A1 (0.46) MAPTALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL1712168 0.77 TDP1 (0.42) MAPTALDH1A1AKR1C3AKR1C2MAPK1
SCHEMBL16858599 0.76 MAPT (0.39) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL25358104 0.76 MAPT (0.37) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL29650091 0.75 ALDH1A1 (0.61) MAPTTHRBALDH1A1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 — — EP disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 — — WO disclosed
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