SCHEMBL20208949

SCHEMBL20208949

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6c(cc43)Oc3cc(-c4ccccn4)ccc3N6c3ccc(-c4ccccn4)cc3O5)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
TP53 P04637 3/20 0.32
PKM P14618 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KLF5 Q13887 1/20 0.32
NPC1 O15118 3/20 0.31
METAP1 P53582 1/20 0.30
POLB P06746 2/20 0.30
ESR2 Q92731 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL20208937 0.88 MAPT (0.32) HSD17B10RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL22145789 0.86 NPY5R (0.34) TSHRHSD17B10MAPK1RAB9ASMN1; SMN2
SCHEMBL20208630 0.85 P2RX4 (0.30)
SCHEMBL20208934 0.83 MEN1 (0.33) TSHRHSD17B10ALDH1A1LMNAMEN1
SCHEMBL20208941 0.82 CYP1A2 (0.35) TSHRHSD17B10MAPK1TP53MAPT
SCHEMBL20209403 0.81
SCHEMBL20208636 0.79 ALDH1A1 (0.38) HSD17B10MAPK1MAPTKDM4EALDH1A1
SCHEMBL20208650 0.79
SCHEMBL20208970 0.78 MEN1 (0.30) MEN1KMT2A
SCHEMBL20208946 0.78 ALDH1A1 (0.34) TSHRHSD17B10MAPK1RAB9ASMN1; SMN2

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-3544986-B1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
WO-2018095839-A1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-31 WO disclosed