SCHEMBL7473048

SCHEMBL7473048

CCn1c(C=O)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
VDR P11473 2/20 0.43
LMNA P02545 3/20 0.42
NFKB1 P19838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
DCTPP1 Q9H773 2/20 0.40
MAPT P10636 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 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
SCHEMBL7469634 0.85 KDM4E (0.43) KDM4ELMNANFKB1SMN1; SMN2MEN1
SCHEMBL7469625 0.85 KDM4E (0.43) KDM4ELMNANFKB1SMN1; SMN2MEN1
SCHEMBL1048487 0.76 KDM4E (0.58) KDM4ELMNASMN1; SMN2MEN1CYP1A2
SCHEMBL12210156 0.75 MEN1 (0.44) KDM4EVDRNFKB1SMN1; SMN2MEN1
SCHEMBL10642457 0.75 RPS6KA5 (0.49) KDM4EVDRLMNANFKB1SMN1; SMN2
SCHEMBL17279262 0.75 KDM4E (0.50) KDM4ELMNANFKB1SMN1; SMN2MEN1
SCHEMBL3616241 0.73 KDM4E (0.65) KDM4EVDRLMNANFKB1SMN1; SMN2
SCHEMBL13273926 0.73 HAT1 (0.39) KDM4EVDRLMNASMN1; SMN2MEN1
SCHEMBL10971739 0.72 KDM4E (0.48) KDM4ELMNANFKB1SMN1; SMN2MEN1
SCHEMBL13274129 0.72 HAT1 (0.36) KDM4EVDRLMNANFKB1SMN1; SMN2

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-0771796-B1 Substituted S-triazines and process for their preparation AGFA GEVAERT (BE) 2002-06-19 EP disclosed
EP-0771796-A1 Substituted S-triazines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed