SCHEMBL28167347

SCHEMBL28167347

CN(C)c1ccc(C(=O)N2CCCCC2)cc1.CN(C)c1ccccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
USP2 O75604 1/20 0.45
CNR2 P34972 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PARP1 P09874 1/20 0.43
DHODH Q02127 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43

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
SCHEMBL2455541 0.83 HPGD (0.71) HPGDALDH1A1AVPR2AVPR1AMAPK1
SCHEMBL24783903 0.81 HPGD (0.68) HPGDALDH1A1AVPR2AVPR1AMAPK1
SCHEMBL147847 0.75 ALDH1A1 (0.69) HPGDALDH1A1MAPTKMT2ACNR2
SCHEMBL3897113 0.74 CCKBR (0.44) HPGDALDH1A1AVPR2HTTMEN1
SCHEMBL1583125 0.72 SMN1; SMN2 (0.59) HPGDALDH1A1HTTMEN1MAPT
SCHEMBL5166136 0.72 SMN1; SMN2 (0.59) HPGDALDH1A1HTTMEN1MAPT
SCHEMBL4560822 0.72 HPGD (0.80) HPGDALDH1A1MAPK1MEN1MAPT
SCHEMBL1160398 0.72 HPGD (0.80) HPGDALDH1A1MAPK1MEN1MAPT
Terephthalamide SCHEMBL1160108 0.72 HPGD (0.80) HPGDALDH1A1MAPK1MEN1MAPT
SCHEMBL11857269 0.72 HPGD (0.80) HPGDALDH1A1MAPK1MEN1MAPT

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-104723717-B A kind of flexographic plate of CTP and preparation method thereof 乐凯华光印刷科技有限公司 2017-08-25 CN disclosed