SCHEMBL28042403

SCHEMBL28042403

Cc1cc(C)cc(-n2ccc(N)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
TSHR P16473 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 8/20 0.36
NPC1 O15118 5/20 0.36
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL11475821 0.83 KMT2A (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL13662724 0.82 NOTUM (0.47) POLBNOTUMALDH1A1TDP1TSHR
SCHEMBL28870075 0.79 MAPT (0.52) POLBNOTUMALDH1A1NOS1MEN1
SCHEMBL25353365 0.78 ALDH1A1 (0.39) POLBALDH1A1TDP1NOS3NOS1
SCHEMBL44771 0.77 ALDH1A1 (0.49) NOTUMALDH1A1TSHRMEN1KMT2A
SCHEMBL16863795 0.77 MAPT (0.41) POLBALDH1A1TDP1TSHRMEN1
SCHEMBL380712 0.76 L3MBTL1 (0.40) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL31233837 0.76 NOTUM (0.41) POLBNOTUMALDH1A1MEN1KMT2A
SCHEMBL20249597 0.74 TDO2 (0.34) ALDH1A1TDP1NOS3NOS2
SCHEMBL20242276 0.74 ELOVL1 (0.40) ALDH1A1TDP1NOS3NOS1NOS2

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-108477173-A Heterocyclic compound as insecticide 拜耳农作物科学股份公司 2018-09-04 CN disclosed
CN-105101800-B Heterocyclic Compounds as Pesticides 拜耳农作物科学股份公司 2018-04-13 CN disclosed
CN-105101800-A Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG 2015-11-25 CN disclosed