SCHEMBL28548770

SCHEMBL28548770

CNc1ccc(N=Nc2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
NOS1 P29475 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
METAP2 P50579 1/20 0.44
CSNK2A1 P68400 1/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
HSF1 Q00613 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL2569041 0.82 ROCK2 (0.63) ROCK2ROCK1KDM4EMAPTNOS1
SCHEMBL14270988 0.74 INSR (0.38) ROCK2ROCK1KDM4EMAPTALDH1A1
SCHEMBL3813225 0.72 CA12 (0.63) MAPTALDH1A1RAB9AHPGDMEN1
SCHEMBL3813221 0.72 CA12 (0.63) MAPTALDH1A1RAB9AHPGDMEN1
SCHEMBL4194552 0.72 ALDH1A1 (0.62) KDM4EMAPTNOS1ALDH1A1RAB9A
SCHEMBL6314346 0.72 MAPT (0.53) ROCK2ROCK1KDM4EMAPTNOS1
SCHEMBL2230739 0.71 ROCK2 (0.46) ROCK2ROCK1JAK2CLK2GSK3B
SCHEMBL3514335 0.71 MAPT (0.49) ROCK2ROCK1KDM4EMAPTNOS1
SCHEMBL14280917 0.70 MEN1 (0.59) KDM4EMAPTALDH1A1RAB9AHPGD
SCHEMBL13797736 0.70 MEN1 (0.59) KDM4EMAPTALDH1A1RAB9AHPGD

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed