SCHEMBL31382802

SCHEMBL31382802

C1=CC(=C(c2ccccc2)c2ccccc2)C=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
CHRNA4 P43681 2/20 0.36
SETD7 Q8WTS6 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL647841 0.77 TDP1 (0.40) TDP1HDAC6LMNACYP2D6CHRNA4
SCHEMBL8386703 0.74 MEN1 (0.58) TDP1HDAC6LMNACYP2D6CHRM2
SCHEMBL8739454 0.71 CYP3A4 (0.63) TDP1HDAC6LMNACYP2D6SETD7
SCHEMBL11327650 0.68 CES2 (0.54) TDP1HDAC6CES2CES1TSHR
SCHEMBL28719659 0.68 TDP1 (0.35) TDP1HDAC6LMNACYP2D6CHRNA4
SCHEMBL11330207 0.67 NPC1 (0.40) TDP1HDAC6LMNACA2CES2
SCHEMBL9226914 0.66 CES1 (0.43) TDP1LMNACYP2D6CHRNA4SETD7
SCHEMBL28580453 0.66 HDAC1 (0.43) TDP1HDAC6CES2CES1NPC1
SCHEMBL1045207 0.65 SMN1; SMN2 (0.45) TDP1LMNACA2ALDH1A1CYP3A4
SCHEMBL13123900 0.64 KMT2A (0.85) TDP1HDAC6LMNACA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119725798-A Electrolyte containing metal ion indicator, and preparation method and application thereof 中山大学 2025-03-28 CN claimed
CN-119725798-B Electrolyte containing metal ion indicator, and preparation method and application thereof 中山大学 2025-08-12 CN disclosed
CN-119725798-A Electrolyte containing metal ion indicator, and preparation method and application thereof 中山大学 2025-03-28 CN disclosed
CN-119725798-A Electrolyte containing metal ion indicator, and preparation method and application thereof 中山大学 2025-03-28 CN disclosed