SCHEMBL21766269

SCHEMBL21766269

C/C=C\C(=O)Nc1ccc(C(=O)O)cc1N1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ G6PD P11413 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NSD2 O96028 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ KDM5A P29375 2/20 0.38
▸ LTB4R Q15722 4/20 0.37

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
SCHEMBL21766058 0.75 DDAH1 (0.39) DDAH1ALDH1A1G6PDHPGDHTT
SCHEMBL28932014 0.74 KDM5A (0.55) ALDH1A1HTTMEN1KMT2AKDM5A
SCHEMBL17301073 0.72 DDAH1 (0.58) DDAH1ALDH1A1G6PDHPGDHTT
SCHEMBL24938792 0.68 MYC (0.60) DDAH1ALDH1A1G6PDHTTMEN1
SCHEMBL20945174 0.68 ALDH1A1 (0.58) DDAH1ALDH1A1G6PDHPGDHTT
SCHEMBL24939676 0.67 MYC (0.56) DDAH1ALDH1A1G6PDHPGDHTT
SCHEMBL22272087 0.66 CREBBP (0.63) ALDH1A1MEN1KMT2ALMNALTB4R
SCHEMBL24939849 0.65 TSHR (0.53) DDAH1ALDH1A1G6PDHPGDHTT
SCHEMBL24939671 0.65 DDAH1 (0.53) DDAH1ALDH1A1G6PDHPGDHTT
Hydrochloric Acid SCHEMBL11453925 0.65 DDAH1 (0.53) DDAH1ALDH1A1G6PDHPGDHTT

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
EP-2949343-B1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS INC (CN) 2020-02-26 — — EP disclosed
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