SCHEMBL30402902

SCHEMBL30402902

O=C(Cc1c(Cl)cccc1Cl)Nc1ccnc(NC(=O)Cc2cc(F)ccc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 5/20 0.58
TYK2 P29597 6/20 0.51
JAK2 O60674 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
JAK1 P23458 2/20 0.50
P2RX4 Q99571 1/20 0.48
RECQL P46063 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNJ5 P48544 2/20 0.46
KCNJ3 P48549 2/20 0.46

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
SCHEMBL30402844 0.88 ANO1 (0.61) ANO1TYK2JAK2JAK1RECQL
SCHEMBL29029227 0.88 ANO1 (0.58) ANO1TYK2JAK2SMN1; SMN2JAK1
SCHEMBL30368167 0.81 TYK2 (0.67) ANO1TYK2JAK2SMN1; SMN2JAK1
SCHEMBL30368101 0.78 SMN1; SMN2 (0.65) ANO1TYK2JAK2SMN1; SMN2JAK1
SCHEMBL30368260 0.77 ANO1 (0.53) ANO1TYK2JAK2JAK1RECQL
SCHEMBL29029218 0.76 ANO1 (0.55) ANO1SMN1; SMN2P2RX4RECQLTSHR
SCHEMBL30368230 0.75 JAK2 (0.62) ANO1TYK2JAK2JAK1P2RX4
SCHEMBL26186541 0.75 P2RX4 (0.74) ANO1SMN1; SMN2P2RX4RECQLTSHR
SCHEMBL30285760 0.75 P2RX4 (0.74) ANO1SMN1; SMN2P2RX4RECQLTSHR
SCHEMBL21198322 0.74 ANO1 (1.00) ANO1

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-115989218-A Use of N-phenylacetamides having P2X4 receptor antagonistic activity for the treatment of certain eye diseases 拜耳公司 2023-04-18 CN disclosed