SCHEMBL28842539

SCHEMBL28842539

C1=CC2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C=C4)C=C3c2ccc(-c3cccs3)cc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL5576021 0.89 KDM4E (0.33) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL473159 0.79 MAOA (0.32) —
SCHEMBL28146959 0.78 MAOA (0.31) —
SCHEMBL28187477 0.78 MAOA (0.31) —
SCHEMBL28306376 0.78 MAOA (0.31) —
SCHEMBL28289587 0.76 ALDH1A1 (0.30) CYP3A4ALDH1A1TDP1
Hydrochloric Acid SCHEMBL27597701 0.76 ESR1 (0.30) —
Hydrochloric Acid SCHEMBL27597698 0.76 ESR1 (0.30) —
SCHEMBL28087954 0.76 ALDH1A1 (0.30) CYP3A4ALDH1A1TDP1
SCHEMBL28295369 0.76 ESR1 (0.30) —

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-115044018-B Organic conjugated polymer containing porphyrin skeleton structure, and preparation method and application thereof 香港理工大学深圳研究院 2023-12-19 — — CN disclosed
CN-115044018-A Organic conjugated polymer containing porphyrin framework structure and preparation method and application thereof 香港理工大学深圳研究院 2022-09-13 — — CN disclosed
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