SCHEMBL5216952

SCHEMBL5216952

O=C(NCc1ccccc1)c1cnncc1CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
KMT2A Q03164 3/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGDS O60760 2/20 0.50
GLA P06280 2/20 0.49
MMP13 P45452 1/20 0.49
METAP2 P50579 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL6068362 0.83 ALDH1A1 (0.60) HPGDLMNAGAAL3MBTL1ROCK2
SCHEMBL31680569 0.74 KMT2A (0.89) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL11901003 0.74 KMT2A (0.89) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL17686276 0.73 HPGD (1.00) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL4923374 0.73 KMT2A (0.51) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL17439944 0.72 ROCK2 (1.00) HPGDLMNAGAAL3MBTL1ROCK2
SCHEMBL27687948 0.72 LMNA (0.55) HPGDLMNAGAAL3MBTL1KMT2A
SCHEMBL28076489 0.71 HDAC6 (0.68) HPGDLMNAROCK2ROCK1KDM4E
SCHEMBL11486711 0.70 CHRNB2 (0.58) HPGDLMNAGAAL3MBTL1ROCK2
SCHEMBL5216669 0.70 POLB (0.37) HPGDGAAKMT2AALDH1A1GLA

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
EP-1763303-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF Bayer CropScience Aktiengesellschaft (DE) 2007-03-21 EP disclosed
WO-2006000333-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-05 WO disclosed