SCHEMBL4446397

SCHEMBL4446397

[CH2]C(CNCc1ccccc1)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ANPEP P15144 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.45
BCHE P06276 2/20 0.44
CHRM2 P08172 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
DNM1 Q05193 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10513016 0.79 SIGMAR1 (0.59) MEN1KMT2ATDP1SIGMAR1MAPT
SCHEMBL9034542 0.78 MEN1 (0.52) MEN1KMT2ATDP1ANPEPSIGMAR1
SCHEMBL9674688 0.78 SIGMAR1 (0.52) MEN1KMT2ATDP1SIGMAR1MAPT
SCHEMBL457445 0.78 SIGMAR1 (0.47) MEN1KMT2ATDP1SIGMAR1GAA
SCHEMBL6379919 0.78 MEN1 (0.52) MEN1KMT2ATDP1ANPEPMAOA
SCHEMBL30385366 0.76 SIGMAR1 (0.66) MEN1KMT2ATDP1ANPEPSIGMAR1
SCHEMBL4975349 0.76 SIGMAR1 (0.66) MEN1KMT2ATDP1ANPEPSIGMAR1
SCHEMBL4068553 0.75 SMN1; SMN2 (0.55) MEN1KMT2ATDP1SIGMAR1MAPT
Hydrochloric Acid SCHEMBL11674095 0.74 SIGMAR1 (0.63) MEN1KMT2ATDP1ANPEPSIGMAR1
SCHEMBL11100850 0.74 BCHE (0.54) MEN1KMT2ATDP1ANPEPMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534908-B2 Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof WACKER CHEMIE AG (DE) 2009-05-19 US disclosed