SCHEMBL28111738

SCHEMBL28111738

CC(C)c1cc(Nc2ccccc2)nnc1C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CNR2 P34972 2/20 0.48
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 2/20 0.44
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
ADORA2A P29274 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28836205 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MAPTPOLBRXFP1HPGD
SCHEMBL27021656 0.73 KMT2A (0.65) SMN1; SMN2MAPTHPGDALDH1A1KMT2A
SCHEMBL28111733 0.73 MMP13 (0.52) SMN1; SMN2CNR2MAPTHPGDMMP13
SCHEMBL5452563 0.72 CNR2 (0.84) CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL17661849 0.69 HPGD (0.60) SMN1; SMN2CNR2HPGDALDH1A1KMT2A
SCHEMBL28111242 0.68 RAB9A (0.53) SMN1; SMN2POLBHPGDMMP13ALDH1A1
SCHEMBL27813617 0.68 MAPT (0.50) SMN1; SMN2MAPTALDH1A1CYP2C19MAPK1
SCHEMBL21644655 0.67 HSP90AA1 (0.64) SMN1; SMN2HPGDALDH1A1KMT2ACYP2C19
SCHEMBL28836629 0.66 VNN1 (0.56) SMN1; SMN2CNR2MAPTHPGDMMP13
SCHEMBL28111776 0.66 MAPT (0.64) CNR2MAPTHPGDMMP13ALDH1A1

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
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN claimed
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed