SCHEMBL4220282

SCHEMBL4220282

CCC(c1ccccc1)(c1ccccc1)N(CCC(=O)NC1CCCNC1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.41
PARP1 P09874 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
DUSP3 P51452 1/20 0.40
NPC1 O15118 4/20 0.39
GSTO1 P78417 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ELOVL1 Q9BW60 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38

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
SCHEMBL4219458 0.82 NPC1 (0.42) LMNAMAPTRAB9AKMT2ANPC1
SCHEMBL4217249 0.82 MAPT (0.52) LMNAMAPTRAB9APARP1NPC1
SCHEMBL2433788 0.81 CASR (0.56) LMNAMAPTRAB9AKMT2ACDC25A
SCHEMBL2433531 0.81 CASR (0.56) LMNAMAPTRAB9AKMT2ACDC25A
SCHEMBL2433536 0.81 CASR (0.56) LMNAMAPTRAB9AKMT2ACDC25A
SCHEMBL2462483 0.79 CASR (0.55) LMNAMAPTRAB9AKMT2ACDC25A
SCHEMBL2462485 0.79 CASR (0.55) LMNAMAPTRAB9AKMT2ACDC25A
SCHEMBL2464622 0.79 CASR (0.55) LMNAMAPTRAB9AKMT2ACDC25A
SCHEMBL4213903 0.78 RAB9A (0.41) LMNAMAPTRAB9AKMT2APARP1
SCHEMBL4212296 0.77 MAPT (0.44) LMNAMAPTRAB9APARP1NPC1

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-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO disclosed