SCHEMBL27294941

SCHEMBL27294941

CN/C(C)=N/Cc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.42
▸ NOS1 P29475 3/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ CHRM1 P11229 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ PYCR1 P32322 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ AGER Q15109 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL8803706 0.70 ALDH1A1 (0.46) ALDH1A1POLB
SCHEMBL8852156 0.68 TAAR1 (0.43) TAAR1PYCR1ALDH1A1
SCHEMBL27780170 0.67 MEN1 (0.51) NOS2BLMALDH1A1CYP1A2CYP2D6
SCHEMBL13308789 0.67 NOS2 (0.50) TAAR1NOS1NOS2NOS3ALDH1A1
SCHEMBL25408933 0.66 CSK (0.51) POLB
SCHEMBL30288598 0.66 CSK (0.51) POLB
SCHEMBL6246109 0.66 CSK (0.51) POLB
SCHEMBL6246106 0.66 CSK (0.51) POLB
SCHEMBL8851885 0.64 TAAR1 (0.40) TAAR1PYCR1ALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29379697 0.64 TAAR1 (0.69) TAAR1CYP2D6

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
EP-3608312-B1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF XIAMEN VIVOHEALTHS TECH CO LTD (CN) 2024-06-26 — — EP disclosed
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