SCHEMBL30416850

SCHEMBL30416850

Cc1ccc(I)cc1C(=O)Nc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNMA1 Q12791 1/20 0.51
SORT1 Q99523 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL20610091 1.00 MEN1 (0.57) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL20632221 0.86 NPC1 (0.59) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL8815552 0.83 NPC1 (0.57) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL13162953 0.82 MEN1 (0.69) MEN1KMT2ATDP1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL30416720 0.81 MEN1 (0.67) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL31019644 0.78 NPC1 (0.65) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL19747532 0.76 MEN1 (0.69) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL9975858 0.76 RAB9A (0.83) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL11729468 0.76 NPC1 (0.58) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL27474427 0.75 NPC1 (0.63) MEN1KMT2ATDP1L3MBTL1KDM4E

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-110869350-B Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2023-05-02 CN disclosed