SCHEMBL23769042

SCHEMBL23769042

Nc1ccc2c(c1)N(Cc1cccc(-n3ccc4ccc(N)cc43)c1)CCS2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.39
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL23769111 0.78 MAPT (0.58) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL15712770 0.67 SMN1; SMN2 (0.55) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL27939752 0.66 CA12 (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30248720 0.65 MAPT (0.57) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL31490268 0.65 MAPT (0.42) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL23769116 0.65 MAPT (0.42) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL30895175 0.64 MAPT (0.59) MAPTKDM4EALDH1A1HPGDTP53
Hydrochloric Acid SCHEMBL28914138 0.64 MAPT (0.41) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL28942970 0.63 TSHR (0.49) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL30364596 0.63 TSHR (0.49) MAPTALDH1A1HPGDSMN1; SMN2HTT

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-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 WO disclosed