SCHEMBL8965756

SCHEMBL8965756

c1ccc(C[N+]2(C3CCCCC3)CCCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
G6PC1 P35575 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
EP300 Q09472 1/20 0.35
HPGD P15428 2/20 0.35
EPHX1 P07099 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL7192200 1.00 MEN1 (0.41) MEN1KMT2AEPHX2CHRNB2CHRNA4
SCHEMBL14986054 0.84 MEN1 (0.49) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL4282417 0.82 EED (0.37) MEN1KMT2ACHRNB2CHRNA4POLB
SCHEMBL2884183 0.79 MEN1 (0.39) MEN1KMT2AEPHX2CHRNB2CHRNA4
SCHEMBL253686 0.77 POLB (0.44) MEN1KMT2APOLBTAAR1
SCHEMBL8056836 0.76 HTT (0.42) CHRNB2CHRNA4HTTL3MBTL1POLB
SCHEMBL8965651 0.76 HTT (0.42) CHRNB2CHRNA4HTTL3MBTL1POLB
Hydrochloric Acid SCHEMBL11771900 0.74 HTT (0.41) CHRNB2CHRNA4HTTL3MBTL1POLB
SCHEMBL3686301 0.73 LMNA (0.44) CHRNB2CHRNA4HTTL3MBTL1POLB
SCHEMBL23456767 0.71 CHRNB4 (0.37) CHRNB2CHRNA4POLBCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0619300-A2 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed