SCHEMBL14044005

SCHEMBL14044005

O=C(O)c1cnc(NCc2cccc(OCc3ccccc3)c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.70
NR4A2 P43354 3/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
VNN1 O95497 2/20 0.57
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
BCHE P06276 2/20 0.56
SRD5A2 P31213 1/20 0.55
ALKBH1 Q13686 1/20 0.54
SMPD1 P17405 1/20 0.53

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
SCHEMBL14043999 0.86 FFAR1 (0.65) FFAR1NR4A2MEN1KMT2AKDM4E
SCHEMBL28671922 0.84 VNN1 (0.53) FFAR1KDM4ERAB9AVNN1ALKBH1
SCHEMBL14044001 0.83 FFAR1 (0.79) FFAR1NR4A2MEN1KMT2AKDM4E
SCHEMBL20563988 0.82 KDM5A (0.62) FFAR1VNN1HDAC3HDAC1HDAC2
SCHEMBL14044004 0.79 VNN1 (0.59) FFAR1VNN1SRD5A2HDAC3HDAC1
SCHEMBL14044003 0.78 FFAR1 (0.67) FFAR1NR4A2MEN1KMT2AKDM4E
SCHEMBL14043907 0.78 FFAR1 (0.67) FFAR1NR4A2MEN1KMT2AKDM4E
SCHEMBL1122713 0.78 NR4A2 (0.94) FFAR1NR4A2MEN1KMT2ATSHR
SCHEMBL30207018 0.77 NR4A2 (1.00) FFAR1NR4A2MEN1KMT2ATSHR
SCHEMBL339009 0.77 NR4A2 (1.00) FFAR1NR4A2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed