SCHEMBL29090785

SCHEMBL29090785

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=C(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ GLA P06280 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ CYCS P99999 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ CTRC Q99895 1/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
Benzoic Acid SCHEMBL1249516 0.91 DAO (0.48) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL28410519 0.91 DAO (0.48) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL4657369 0.91 DAO (0.48) KDM4EALDH1A1HPGDKMT2AGLA
Terephthalic Acid SCHEMBL28411701 0.91 TSHR (0.44) KDM4EALDH1A1HPGDKMT2AGLA
Terephthalic Acid SCHEMBL28411703 0.91 TSHR (0.44) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL1361627 0.89 DAO (0.47) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL29136455 0.89 DAO (0.47) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL28157733 0.89 DAO (0.47) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL5161411 0.89 DAO (0.47) KDM4EALDH1A1HPGDKMT2AGLA
Benzoic Acid SCHEMBL17687656 0.89 DAO (0.47) KDM4EALDH1A1HPGDKMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114903028-B Erythrocyte cryoprotectant and preparation method and application thereof 华南理工大学 2023-10-17 — — CN claimed
CN-116640244-B Membrane catalytic material for rapidly preparing high molecular weight high-regularity polyacrylate 中国科学院理化技术研究所 2023-11-10 — — CN disclosed
CN-116640244-A Membrane catalytic material for rapidly preparing high molecular weight high-regularity polyacrylate 中国科学院理化技术研究所 2023-08-25 — — CN disclosed
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