SCHEMBL30956101

SCHEMBL30956101

O=P(Cc1coc2ccc3ccccc3c12)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.60
▸ LMNA P02545 6/20 0.50
▸ MAPT P10636 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLPP Q16740 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL23531399 0.77 KDM4E (0.68) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL7775603 0.74 HTT (0.46) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL25936841 0.74 ACP3 (0.62) MAPTHPGDALDH1A1HTTNPSR1
SCHEMBL27212825 0.72 KDM4E (0.64) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL30956100 0.70 TP53 (0.40) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL30956065 0.70 KMT2A (0.43) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL25936994 0.69 HTT (0.55) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL28973814 0.69 ALDH1A1 (0.57) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL8679316 0.69 CYP3A4 (0.42) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL14802040 0.69 HPGD (0.60) KDM4ELMNAMAPTHPGDALDH1A1

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
CN-118005692-A Preparation of benzofuran derivative by initiating free radical reaction by superelectron donor with heteroatom as center and application 贵州大学 2024-05-10 — — CN disclosed
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