SCHEMBL29923701

SCHEMBL29923701

Clc1ccc2c(I)ccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
SOS2 Q07890 1/20 0.61
CYP1A2 P05177 1/20 0.54
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 2/20 0.51
CCR1 P32246 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CHKA P35790 2/20 0.50
FERMT2 Q96AC1 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT5B Q4FZB7 1/20 0.47
KMT5C Q86Y97 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
ADRB2 P07550 1/20 0.47

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
SCHEMBL365024 1.00 NR4A2 (0.61) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL317202 0.79 NR4A2 (0.66) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL29396540 0.79 NR4A2 (0.66) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL18544879 0.79 GAK (0.44) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL4744073 0.79 HTT (0.51) NR4A2SOS2CYP1A2KMT2AGAA
Bromide SCHEMBL1611915 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2MAPTKMT2A
Hydrochloric Acid SCHEMBL11519956 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2MAPTKMT2A
Bromide SCHEMBL1611919 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2MAPTKMT2A
Iodide SCHEMBL11565912 0.78 GAK (0.43) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL20427414 0.76 HTR1A (0.54) NR4A2SOS2CYP1A2MAPTKMT2A

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed