SCHEMBL29945923

SCHEMBL29945923

N#Cc1ccc(CSc2ccnn2C2CCNCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSB P07858 1/20 0.39
KDM1A O60341 3/20 0.35
GPR119 Q8TDV5 2/20 0.34
MPO P05164 1/20 0.33
HSD11B1 P28845 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL29946030 0.85 MEN1 (0.41) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL29945963 0.81 GPR119 (0.49) MAPTGPR119
SCHEMBL29946004 0.77 CTSB (0.39) MAPTCTSBKDM1AMPOHSD11B1
SCHEMBL25145660 0.69 SLC6A4 (0.49) KDM1ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL24266549 0.68 HTR6 (0.41) KDM1AGPR119SLC6A2SLC6A4SLC6A3
SCHEMBL29946071 0.67 ALK (0.49) KDM1AGPR119SLC6A2SLC6A4SLC6A3
SCHEMBL8514152 0.67 GPR119 (0.69) KDM1AGPR119SLC6A2SLC6A4SLC6A3
SCHEMBL24265686 0.67 KDM1A (0.44) KDM1AGPR119SLC6A2SLC6A4SLC6A3
SCHEMBL29574126 0.67 KDM1A (0.44) KDM1AGPR119SLC6A2SLC6A4SLC6A3
SCHEMBL12487383 0.67 MEN1 (0.58) MEN1ALDH1A1MAPTPKMALOX15

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-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed