SCHEMBL9728276

SCHEMBL9728276

N#Cc1sc(N)nc1C1=CCCN(CCc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
GRM2 Q14416 1/20 0.37
KCNH2 Q12809 2/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KCNJ1 P48048 1/20 0.34
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL9728783 0.90 KDM4E (0.46) MAOAKDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL9728481 0.80 SIGMAR1 (0.46) KCNH2DRD2
SCHEMBL9729054 0.79 RAD52 (0.40) KDM4EALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL9729647 0.74 CHRM1 (0.44)
SCHEMBL9729439 0.73 MAOA (0.39) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL1852196 0.68 MYC (0.61) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL9728514 0.62 HTR6 (0.36) DRD2
SCHEMBL8804098 0.62 MAOA (0.67) MAOAKCNH2KCNJ1
SCHEMBL1848508 0.61 MYC (0.43) KDM4EALDH1A1MAPTMYCWDR5
SCHEMBL1849138 0.60 MYC (0.43) KDM4EALDH1A1MAPTMYCWDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed