SCHEMBL8312267

SCHEMBL8312267

CN(CCC#N)c1nc2c(Cl)cc(F)c(N)c2s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL8310228 0.83 LIMK1 (0.31)
SCHEMBL8310400 0.80 MAPT (0.36) KDM4EALDH1A1GAAKMT2A
SCHEMBL8312265 0.73 KDM4E (0.31) KDM4EKMT2A
SCHEMBL8334566 0.70 TLR8 (0.36) KDM4EALDH1A1KMT2A
SCHEMBL9148367 0.69 SMN1; SMN2 (0.38) KDM4EALDH1A1GAAKMT2A
SCHEMBL8329490 0.69 TLR8 (0.40) ALDH1A1GAA
SCHEMBL8312415 0.68 SMN1; SMN2 (0.37) KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9147162 0.68 SMN1; SMN2 (0.37) KDM4EALDH1A1KMT2A
SCHEMBL8331898 0.66 KDR (0.36) ALDH1A1
SCHEMBL8333788 0.64 SMN1; SMN2 (0.32) ALDH1A1

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
EP-0958295-A1 SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998033796-A1 SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-08-06 WO disclosed