SCHEMBL8660658

SCHEMBL8660658

Cn1nc(Cl)n(-c2ccc(Cl)cc2CCl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.39
BRD9 Q9H8M2 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
ADORA2A P29274 2/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
TLR8 Q9NR97 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSPO P30536 1/20 0.32
NOTUM Q6P988 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
SCHEMBL8664609 0.87 SETDB1 (0.37) SETDB1BRD9SMN1; SMN2MAPTLMNA
SCHEMBL8675983 0.86 SETDB1 (0.38) SETDB1BRD9TSHRSMN1; SMN2LMNA
SCHEMBL8155272 0.82 NPC1 (0.34) SETDB1BRD9SMN1; SMN2LMNA
SCHEMBL8670561 0.80 DDR1 (0.35) SETDB1BRD9GABRG2GABRB3GABRA5
SCHEMBL8664792 0.80 SETDB1 (0.42) SETDB1TLR8SMN1; SMN2MAPTLMNA
SCHEMBL6600347 0.72 MALT1 (0.35) SETDB1BRD9TSHRSMN1; SMN2LMNA
SCHEMBL8499784 0.70 ALDH1A1 (0.36) BRD9TSHRLMNAHTT
SCHEMBL8663188 0.69 ALDH1A1 (0.42) SETDB1BRD9SMN1; SMN2LMNAHTT
SCHEMBL8664376 0.69 SMN1; SMN2 (0.33) SETDB1BRD9SMN1; SMN2MAPTLMNA
SCHEMBL6603431 0.67 HCAR1 (0.48) TSHRSMN1; SMN2MAPTLMNA

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