SCHEMBL28521770

SCHEMBL28521770

Nc1ccc2c(Cc3ccccc3)c(N)c(Cc3ccccc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ BCL2 P10415 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 4/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MPO P05164 1/20 0.35
▸ TPO P07202 1/20 0.35
▸ EPX P11678 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 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
SCHEMBL8781012 0.69 HTR2A (0.46) HTR2ATDP1KDM4EGAAMAPT
SCHEMBL23300527 0.69 HTR2A (0.42) HTR2ABCL2BCL2L1CYP3A4HSD17B10
SCHEMBL6839208 0.69 HTR2A (0.48) HTR2ATDP1KDM4EGAAMAPT
SCHEMBL10703351 0.69 HTR2A (0.48) HTR2ATDP1KDM4EGAAMAPT
SCHEMBL1514183 0.69 HTR2A (0.48) HTR2ATDP1KDM4EGAAMAPT
SCHEMBL14421534 0.68 HTR2A (0.48) HTR2ATDP1KDM4EGAAMAPT
SCHEMBL28492984 0.68 CALM1 (0.55) HTR2ABCL2BCL2L1CYP3A4HSD17B10
SCHEMBL11286481 0.68 SRC (0.35) KDM4EGAAMAPTCYP3A4ALDH1A1
SCHEMBL21191112 0.67 HTR2A (0.47) HTR2ATDP1KDM4EGAAMAPT
SCHEMBL2960873 0.67 CALM1 (0.58) HTR2AGAAMAPTBCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111792999-B Dinaphthylamine compounds, and preparation method and application thereof 五邑大学 2022-08-09 — — CN disclosed
CN-111792999-A Dinaphthylamine compounds, and preparation method and application thereof 五邑大学 2020-10-20 — — CN disclosed
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