SCHEMBL30041147

SCHEMBL30041147

[N-]=[N+]=NCC(=O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.51
▸ FEN1 P39748 1/20 0.51
▸ PARP1 P09874 1/20 0.47
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ KCNQ5 Q9NR82 1/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL23553623 1.00 ERCC5 (0.51) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL14492413 0.81 PARP1 (0.47) PARP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14466949 0.80 GSK3B (0.52) ERCC5FEN1KMT2AALDH1A1MAPT
SCHEMBL13525672 0.79 KMT2A (0.50) ERCC5FEN1MEN1KMT2ASMN1; SMN2
SCHEMBL26922809 0.79 KMO (0.47) ALDH1A1HPGDHTT
SCHEMBL13928758 0.77 CES2 (0.54) PARP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13977660 0.75 ERCC5 (0.61) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL8286976 0.75 ERCC5 (0.61) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL11791699 0.75 ERCC5 (0.76) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL29962144 0.75 ERCC5 (0.76) ERCC5FEN1PARP1MEN1KMT2A

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-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 — — CN disclosed
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