SCHEMBL8569325

SCHEMBL8569325

CCCC[N+](CC)(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
EPHX2 P34913 1/20 0.35
BCHE P06276 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL8570659 0.88 ALDH1A1 (0.39) DNM1MEN1KMT2ATP53PKM
SCHEMBL8569478 0.88 ALDH1A1 (0.39) DNM1MEN1KMT2ATP53PKM
SCHEMBL8053908 0.79 CYP1A2 (0.41) DNM1KMT2AHTT
SCHEMBL27638682 0.75 DNM1 (0.56) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL6061498 0.75 CYP1A2 (0.44) DNM1EPHX2
SCHEMBL28017962 0.74 DNM1 (0.40) DNM1KMT2ATP53SMN1; SMN2HTT
SCHEMBL28115311 0.74 DNM1 (0.40) DNM1KMT2ATP53SMN1; SMN2HTT
SCHEMBL28017960 0.74 DNM1 (0.40) DNM1KMT2ATP53SMN1; SMN2HTT
SCHEMBL28018487 0.74 DNM1 (0.40) DNM1KMT2ATP53SMN1; SMN2HTT
SCHEMBL28235416 0.74 DNM1 (0.40) DNM1KMT2ATP53SMN1; SMN2HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037175-C Halomethylbenzoyl cyanides and process for preparing same BASF AG (DE) 1998-01-28 CN disclosed
US-5705674-A Process for preparing ortho-nitrobenzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-06 US disclosed
EP-0619300-B1 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF AG (DE) 1996-12-27 EP disclosed
US-5510528-A Preparation of halomethylbenzoly cyanides and novel halomethylbenzoyl cyanides BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5446199-A Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
CN-1097412-A Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides BASF AG (DE) 1995-01-18 CN disclosed
EP-0619300-A2 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed