SCHEMBL30368680

SCHEMBL30368680

Nc1ccc2cc(Br)ccc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BACE1 P56817 2/20 0.44
CYP2A6 P11509 1/20 0.43
ERN1 O75460 1/20 0.42
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.39
PLAU P00749 2/20 0.39
PDPK1 O15530 2/20 0.38
JAK2 O60674 2/20 0.38
ACHE P22303 2/20 0.38
NCEH1 Q6PIU2 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6126980 1.00 KDM4E (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2067129 0.83 MAPT (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL30274387 0.83 MAPT (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11212824 0.83 MAPT (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL29240308 0.79 MAPT (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL31022943 0.79 IMPDH2 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL26205130 0.79 MEN1 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3825050 0.79 IMPDH2 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL27710043 0.79 IMPDH2 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3171263 0.79 MAPT (0.47) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178689-A Liquid crystal polymer and preparation method and application thereof 深圳大学 2023-05-30 CN claimed
CN-116710454-A Nitrogen-containing compounds for organic electroluminescent devices 默克专利有限公司 2023-09-05 CN disclosed
CN-116178689-A Liquid crystal polymer and preparation method and application thereof 深圳大学 2023-05-30 CN disclosed