SCHEMBL8664609

SCHEMBL8664609

Cc1ccc(-n2c(Cl)nn(C)c2=O)c(CCl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 2/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
BRD9 Q9H8M2 4/20 0.34
MEN1 O00255 2/20 0.32
AGTR1 P30556 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
GRM4 Q14833 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8660658 0.87 SETDB1 (0.39) SETDB1SMN1; SMN2MAPTLMNABRD9
SCHEMBL8675983 0.84 SETDB1 (0.38) SETDB1SMN1; SMN2LMNABRD9BRD7
SCHEMBL8663188 0.81 ALDH1A1 (0.42) SETDB1KMT2ASMN1; SMN2TP53LMNA
SCHEMBL8155272 0.81 NPC1 (0.34) SETDB1KMT2ASMN1; SMN2LMNABRD9
SCHEMBL8499784 0.71 ALDH1A1 (0.36) KMT2ALMNABRD9MEN1
SCHEMBL8670561 0.69 DDR1 (0.35) SETDB1NPSR1SMN1; SMN2LMNABRD9
SCHEMBL23712860 0.68 P2RX7 (0.35) KMT2ASMN1; SMN2MAPTBRD9MEN1
SCHEMBL12641402 0.67 KMT2A (0.40) SETDB1KMT2ANPSR1
SCHEMBL8590523 0.65 KDM4E (0.47) KMT2AMAPTLMNAMEN1GAA
SCHEMBL8593864 0.63 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2TP53MAPTLMNA

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-0874831-A1 PROCESSES AND COMPOUNDS FOR PREPARING CYCLIC UREA FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-04 EP disclosed
WO-1997019935-A1 PROCESSES AND COMPOUNDS FOR PREPARING CYCLIC UREA FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-06-05 WO disclosed