SCHEMBL20141868

SCHEMBL20141868

Nc1nc(Nc2ccc(OCc3ccccc3)cc2)sc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.64
CDK5R1 Q15078 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 4/20 0.64
LMNA P02545 1/20 0.64
NPC1 O15118 3/20 0.62
CCNA2 P20248 7/20 0.60
CDK2 P24941 7/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
RAB9A P51151 1/20 0.60
MAPK14 Q16539 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
ZAP70 P43403 1/20 0.55
TUBB8B A6NNZ2 1/20 0.53
TUBB4A P04350 1/20 0.53

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
SCHEMBL25609823 0.93 CCNA2 (0.70) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL25609676 0.90 CCNA2 (0.73) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL1250465 0.90 CDK5 (0.74) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL20142857 0.89 GSK3A (0.67) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL25609790 0.89 MEN1 (0.62) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL25609752 0.88 MEN1 (0.58) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL31415130 0.87 MAPT (0.56) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL25609754 0.87 MAPT (0.56) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4404095 0.85 CCNA2 (0.82) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL7757586 0.85 CCNA2 (0.82) CDK5CDK5R1MEN1KMT2AMAPT

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-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed