SCHEMBL29285286

SCHEMBL29285286

CC(N)CN.O=Cc1cc(Br)cc(Br)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.69
MAPT P10636 7/20 0.40
KDM4E B2RXH2 4/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 3/20 0.38
LMNA P02545 3/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2120180 0.83 ERN1 (1.00) ERN1MAPTKDM4ECA12CA1
SCHEMBL29371317 0.83 ERN1 (1.00) ERN1MAPTKDM4ECA12CA1
Alcohol SCHEMBL28685702 0.82 ERN1 (0.81) ERN1MAPTKDM4ECA12CA1
Glycine SCHEMBL29175396 0.81 ERN1 (0.73) ERN1MAPTKDM4ECA12CA1
SCHEMBL29285288 0.78 ERN1 (0.73) ERN1MAPTKDM4ECA12CA1
SCHEMBL28007480 0.77 ERN1 (0.67) ERN1MAPTKDM4ECA12CA1
SCHEMBL27923095 0.74 ERN1 (0.73) ERN1MAPTKDM4ECA12CA1
SCHEMBL27945821 0.74 ERN1 (0.67) ERN1MAPTKDM4ECA12CA1
SCHEMBL544809 0.73 ERN1 (0.78) ERN1TDP1CYP3A4TSHR
SCHEMBL10322298 0.71 GABRA1 (0.64) ERN1CA1CA2ALDH1A1

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
CN-114437252-B Method for removing residual nickel in styrene-conjugated diene copolymer catalytic hydrogenation glue solution 中国石油化工股份有限公司 2024-07-05 CN disclosed