SCHEMBL6169768

SCHEMBL6169768

CSc1nc(C)c(C)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
PKM P14618 2/20 0.33
PDE10A Q9Y233 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AB1 P08238 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
AHR P35869 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 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
SCHEMBL14007696 0.84 RAB9A (0.36) MEN1KMT2AKDM4EMAPK1PKM
SCHEMBL16963172 0.82 MEN1 (0.46) MEN1KMT2AKDM4EMAPK1PPARG
SCHEMBL629435 0.81 MEN1 (0.45) MEN1KMT2AKDM4EMAPK1PPARG
SCHEMBL6169849 0.81 MEN1 (0.53) MEN1KMT2AKDM4EMAPK1PPARG
SCHEMBL3282837 0.77 PPARG (0.45) MEN1KMT2AKDM4EMAPK1PPARG
SCHEMBL15082052 0.74 EGLN1 (0.42) KDM4EPKMPDE10AALDH1A1HCAR2
SCHEMBL22229724 0.72 PDE10A (0.36) MAPK1PDE10AALDH1A1HCAR2SMN1; SMN2
SCHEMBL12758040 0.72 PDE10A (0.38) KDM4EPKMPDE10AALDH1A1HCAR2
SCHEMBL1026100 0.71 ALDH1A1 (0.39) MEN1KMT2AKDM4EMAPK1PKM
Ethane SCHEMBL28790777 0.71 PDE10A (0.39) KMT2AKDM4EPDE10ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914160-B1 Oxytocin inhibitors PFIZER INC (US) 2005-07-05 US disclosed
EP-1537085-A1 OXYTOCIN INHIBITORS Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2004020414-A1 OXYTOCIN INHIBITORS PFIZER LIMITED (GB) 2004-03-11 WO disclosed