SCHEMBL4534260

SCHEMBL4534260

CCC(c1ccccc1)(c1ccccc1)N(CCCC(=O)O)C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 4/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PHGDH O43175 4/20 0.43
GCK P35557 1/20 0.43
USP2 O75604 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
USP8 P40818 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL4217249 0.86 MAPT (0.52) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL2433184 0.80 CASR (0.58) RORCKDM4ERAB9AMAPK1LMNA
SCHEMBL4206760 0.79 MAPT (0.47) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL4212296 0.78 MAPT (0.44) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL4218293 0.78 MAPT (0.46) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL2433485 0.77 CASR (0.60) RORCKDM4ERAB9AMAPK1MAPT
SCHEMBL4210858 0.75 CASR (0.42) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL4213903 0.75 RAB9A (0.41) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL4536241 0.75 MAPT (0.49) RAB9AMAPTMEN1KMT2AROCK2
SCHEMBL4220282 0.74 LMNA (0.45) RAB9AMAPK1LMNAMAPTALDH1A1

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