SCHEMBL6049549

SCHEMBL6049549

CC(C)(C)c1cc(N(C(N)=O)c2ccc(Oc3ccc(O)cc3)cc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ELANE P08246 2/20 0.34
LTA4H P09960 3/20 0.33
ESRRA P11474 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
RAF1 P04049 1/20 0.31
MAPK14 Q16539 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
SCHEMBL6049567 0.88 RAF1 (0.38) KDM4ERAF1MAPK14
SCHEMBL6049651 0.87 PARP10 (0.39) PARP10MEN1KMT2ALTA4H
SCHEMBL3630059 0.74 CYP17A1 (0.39) MEN1KMT2ARAF1MAPK14
SCHEMBL20852474 0.72 LMNA (0.36) MEN1KMT2AESR1ESR2RAF1
SCHEMBL27607443 0.71 RAF1 (0.42) PARP10RAF1MAPK14
SCHEMBL27515960 0.71 ESR2 (0.52) PARP10MEN1KMT2AESR2LTA4H
SCHEMBL667909 0.70 RAF1 (0.52) MEN1KMT2AKDM4ERAF1MAPK14
SCHEMBL11417635 0.70 ESR1 (0.43) PARP10MEN1KMT2AESR1ESR2
SCHEMBL6037486 0.69 ACHE (0.52) ESR1ESR2
SCHEMBL6049504 0.68 MAPK14 (0.47) MEN1KMT2AMAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed