SCHEMBL8207728

SCHEMBL8207728

CC1(c2c(Cl)cccc2Cl)NC1(C)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
AHR P35869 2/20 0.38
ALDH1A1 P00352 2/20 0.36
NOS1 P29475 2/20 0.35
CES1 P23141 2/20 0.34
NSD2 O96028 1/20 0.34
BCHE P06276 1/20 0.34
DAO P14920 1/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.33
HDAC4 P56524 1/20 0.33
IDO1 P14902 1/20 0.33
HTR5A P47898 1/20 0.32

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
SCHEMBL8207739 0.81 TSHR (0.38) CYP1A2CYP2A6TSHRLMNAAHR
SCHEMBL8204687 0.80 LMNA (0.41) TSHRLMNAALDH1A1PDK2KMT2A
SCHEMBL23446684 0.72 CYP1A2 (0.44) CYP1A2CYP2A6LMNAPDK2HDAC4
SCHEMBL24112426 0.66 PDK2 (0.53) CES1NSD2BCHEDAOPDK2
SCHEMBL24156027 0.66 PDK2 (0.53) CYP2A6TSHRLMNAPDK2
SCHEMBL23448751 0.66 RECQL (0.34) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL5189360 0.63 CYP1A2 (0.39) CYP1A2CYP2A6TSHRLMNAAHR
SCHEMBL8204734 0.63 LMNA (0.42) CYP2A6LMNAKMT2A
SCHEMBL21116270 0.63 HDAC4 (0.44) LMNAAHRALDH1A1HDAC4IDO1
SCHEMBL23089387 0.63 CES1 (0.47) ALDH1A1CES1NSD2BCHEDAO

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
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed