SCHEMBL29357439

SCHEMBL29357439

[2H]C1c2cc3nc(Cl)sc3cc2N(C(C)=O)C1[2H]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B3 P37058 6/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ FSCN1 Q16658 1/20 0.33
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL29360258 0.85 DRD2 (0.46) ALDH1A1SMN1; SMN2DRD2KCNH2
SCHEMBL29357355 0.69 CA12 (0.44) NOTUMKDM4EALDH1A1HPGDNPC1
SCHEMBL18588659 0.68 ALDH1A1 (0.40) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL29360469 0.64 HSD17B3 (0.52) NOTUMKDM4EHSD17B3KMT2A
SCHEMBL12476861 0.64 DRD2 (0.41) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29359963 0.63 NOTUM (0.59) NOTUMALDH1A1HSD17B3SMN1; SMN2KMT2A
SCHEMBL2000313 0.61 NPC1 (0.51) KDM4EALDH1A1DYRK1AFSCN1NPC1
SCHEMBL29358148 0.61 MAPT (0.45) KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL18568317 0.60 MAPT (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
Acetic Acid SCHEMBL10533655 0.60 DYRK1A (0.57) DYRK1AFSCN1KMT2A

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
WO-2022016690-A1 LUCIFERASE SUBSTRATES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2022-01-27 — — WO disclosed
Send feedback