SCHEMBL8053841

SCHEMBL8053841

CCCCCC[N+]1(Cc2ccccc2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 1/20 0.35
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CETP P11597 1/20 0.34

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
SCHEMBL7723410 1.00 DNM1 (0.37) DNM1MEN1KMT2AEPHX2SMN1; SMN2
Bromide SCHEMBL9784512 0.98 DNM1 (0.39) DNM1MEN1KMT2AEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL6939665 0.98 MEN1 (0.39) DNM1MEN1KMT2AEPHX2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL8092892 0.98 DNM1 (0.36) DNM1MEN1KMT2AEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL6935021 0.96 MEN1 (0.37) DNM1MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL8965317 0.94 APOBEC3A (0.36) MEN1KMT2ASMN1; SMN2HTTKCNH2
Phosphoric Acid SCHEMBL6940014 0.89 CETP (0.41) EPHX2PKMCYP2D6APOBEC3ACTDSP1
SCHEMBL6122174 0.87 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2TP53HTT
SCHEMBL23817608 0.86 LTA4H (0.46) MEN1KMT2ASMN1; SMN2TP53MAPK1
SCHEMBL5284891 0.86 DNM1 (0.40) DNM1MEN1KMT2AEPHX2SMN1; SMN2

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
EP-0758643-B1 Process for the preparation of ortho-nitro-benzonitriles CLARIANT GMBH (DE) 2000-05-17 EP disclosed
US-5705674-A Process for preparing ortho-nitrobenzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-06 US disclosed
EP-0758643-A2 Process for the preparation of ortho-nitro-benzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-19 EP 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
EP-0619300-A2 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed