SCHEMBL23716083

SCHEMBL23716083

CCc1ccc(Cc2ncc(Cl)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
APLNR P35414 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KLKB1 P03952 1/20 0.32
CSF1R P07333 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
PARP1 P09874 1/20 0.32
NPC1 O15118 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
SCHEMBL17663941 0.88 MEN1 (0.39) S1PR1S1PR3MEN1KMT2ALMNA
SCHEMBL23715848 0.87 RAB9A (0.38) TP53SMN1; SMN2S1PR1S1PR3MEN1
SCHEMBL10272604 0.81 CRHR1 (0.38) APLNRS1PR1S1PR3MEN1KMT2A
SCHEMBL17664085 0.81 PARP1 (0.37) SMN1; SMN2S1PR1S1PR3LMNAPARP1
SCHEMBL21903269 0.73 SLC6A4 (0.38) KLKB1
SCHEMBL24295517 0.72 P2RX3 (0.37) L3MBTL1S1PR1S1PR3MEN1KMT2A
SCHEMBL17664014 0.72 PARP1 (0.38) SMN1; SMN2MEN1KMT2ALMNAPARP1
SCHEMBL10235257 0.71 S1PR1 (0.32) TDP1L3MBTL1SMN1; SMN2S1PR1S1PR3
SCHEMBL17664049 0.71 PARP1 (0.35) S1PR1S1PR3PARP1
SCHEMBL17663880 0.70 HSP90AB1 (0.40) SMN1; SMN2MEN1KMT2ALMNA

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed