SCHEMBL11096071

SCHEMBL11096071

N=C(NC(N)=O)Nc1c(Br)cccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
MAPK8 P45983 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
PLK1 P53350 1/20 0.32

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
SCHEMBL11580418 0.89 DRD2 (0.44) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL11093150 0.89 CYP1A2 (0.43) MEN1KMT2AL3MBTL1CYP1A2PLAU
SCHEMBL11582985 0.89 HTT (0.40) MEN1KMT2A
SCHEMBL11578703 0.89 CYP1A2 (0.33) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL11578713 0.85 SMN1; SMN2 (0.42) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL11577888 0.84 MEN1 (0.38) GAAMEN1KMT2AMAPTPOLB
SCHEMBL11581841 0.82 ALDH1A1 (0.35) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL11582104 0.81 GAA (0.41) GAAKDM4EMEN1KMT2AL3MBTL1
SCHEMBL11579182 0.81 L3MBTL1 (0.53) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL11578720 0.79 GAA (0.47) GAAMEN1KMT2AMAPTL3MBTL1

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
US-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed