SCHEMBL23979062

SCHEMBL23979062

COC(=O)c1c(Cl)ccc(N(S)c2ncc3ccccc3n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
PLA2G2A P14555 1/20 0.33
POLB P06746 1/20 0.33
FGFR4 P22455 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL23979061 0.89 MAPT (0.36) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL30336865 0.76 FGFR4 (0.36) TDP1KDM4EKMT2AALDH1A1HPGD
SCHEMBL23978658 0.76 FGFR4 (0.36) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL23978659 0.76 FGFR4 (0.36) TDP1KDM4EKMT2AALDH1A1HPGD
SCHEMBL30336944 0.76 FGFR4 (0.36) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL23978706 0.75 MAP3K5 (0.45) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL26496227 0.72 KMT2A (0.38) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL15655786 0.66 ALDH1A1 (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL23978660 0.66 CYP1A2 (0.37) FGFR4
SCHEMBL5999658 0.65 KDM4E (0.41) TDP1KDM4EKMT2ANPC1TSHR

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed