SCHEMBL9723937

SCHEMBL9723937

CCCC(=O)c1c(Cl)c2cc(COC(=O)c3ccccc3)ccc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39

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
SCHEMBL9723922 0.78 MAPT (0.43) NPSR1MAPK1KMT2ASLC6A2SLC6A3
SCHEMBL9271491 0.75 GABRA1 (0.69) KMT2AALDH1A1HPGDGABRA1GABRB2
SCHEMBL9263567 0.72 TP53 (0.45) NPSR1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL1622004 0.72 KDM4E (0.49) CSF1RKMT2ASLC6A2SLC6A3TDP1
SCHEMBL9723941 0.71 KMT2A (0.41) NPSR1MAPK1KMT2ASLC6A2SLC6A3
SCHEMBL9271570 0.71 GABRA1 (0.57) ALDH1A1HPGDGABRA1GABRB2SMN1; SMN2
SCHEMBL9272311 0.70 KMT2A (0.42) NPSR1MAPK1KMT2ASLC6A2SLC6A3
SCHEMBL9723934 0.70 ALDH1A1 (0.52) NPSR1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL13295306 0.67 CSF1R (0.58) CSF1RKMT2ATDP1ALDH1A1HPGD
SCHEMBL1061379 0.67 KDM4E (0.64) CSF1RKMT2ATDP1ALDH1A1KDM4E

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
US-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 US disclosed