SCHEMBL4212296

SCHEMBL4212296

CCC(c1ccccc1)(c1ccccc1)N(CCCC(=O)N1CCNCC1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR2 O95136 1/20 0.43
NR2F2 P24468 1/20 0.43
HTT P42858 1/20 0.43
CASR P41180 1/20 0.43
PARP1 P09874 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41

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
SCHEMBL4206760 0.93 MAPT (0.47) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4218293 0.92 MAPT (0.46) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4210858 0.91 CASR (0.42) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4213903 0.88 RAB9A (0.41) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4217249 0.83 MAPT (0.52) MAPTRAB9ANPC1ALDH1A1PARP1
SCHEMBL2464057 0.80 CASR (0.64) MAPTRAB9ANPC1CASRHDAC1
SCHEMBL4534260 0.78 RORC (0.44) MAPTRAB9AALDH1A1KDM4EPARP1
SCHEMBL4220282 0.77 LMNA (0.45) MAPTRAB9ANPC1ALDH1A1PARP1
SCHEMBL4224637 0.76 CASR (0.44) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4536241 0.75 MAPT (0.49) MAPTRAB9ANPC1PARP1ROCK2

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