SCHEMBL28846142

SCHEMBL28846142

CCCSc1ccc2[nH]c(NC(=O)CN)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 3/20 0.60
TP53 P04637 2/20 0.60
CYP1A2 P05177 2/20 0.60
HPGD P15428 1/20 0.60
KCNH2 Q12809 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.46
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
ALOX12 P18054 1/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 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
SCHEMBL9485267 0.87 LMNA (0.64) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL7969988 0.85 LMNA (0.83) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL29409236 0.85 LMNA (0.83) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL44682 0.85 LMNA (0.83) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL23894242 0.84 LMNA (0.60) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL28582887 0.84 LMNA (0.81) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL28958723 0.84 LMNA (0.81) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7258031 0.83 LMNA (0.69) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL23038783 0.82 LMNA (0.74) LMNASMN1; SMN2MEN1KMT2AMAPK1
Albendazole SCHEMBL23038781 0.82 LMNA (0.74) LMNASMN1; SMN2MEN1KMT2AMAPK1

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-115073380-A 2-amide substituted benzo five-membered nitrogen-containing heterocyclic compound and preparation method and application thereof 青海大学 2022-09-20 CN disclosed