SCHEMBL26654657

SCHEMBL26654657

COc1cc2c(cc1Cl)OCc1cnn(C)c1-2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ NPC1 O15118 1/20 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
SCHEMBL9537880 0.76 MAPT (0.51) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL29202265 0.70 MEN1 (0.45) THRBMAPTALDH1A1GAALMNA
SCHEMBL23087870 0.63 PRMT5 (0.51) HTR2AHTR2C
SCHEMBL26654732 0.63 HTR2A (0.42) ALDH1A1KDM4EHTR2AHTR2C
SCHEMBL31379543 0.62 CYP3A4 (0.39) MAPTGAAHTTHTR2AHTR2C
SCHEMBL25897326 0.62 HIF1A (0.36) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL29766649 0.62 ADRA2A (0.36) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL25897315 0.62 ADRA2A (0.36) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL23087955 0.61 PRMT5 (0.51) HTR2AHTR2C
SCHEMBL24156660 0.60 TP53 (0.38) TP53THRBMAPTALDH1A1KDM4E

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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