SCHEMBL18909206

SCHEMBL18909206

CC(N)CNCc1ccc(CNCC(C)NCc2ccc(CNCC(C)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ANPEP P15144 5/20 0.39
ERAP2 Q6P179 4/20 0.39
BCHE P06276 1/20 0.38
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL17509724 0.89 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL20515139 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6ANPEPERAP2
SCHEMBL29787785 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL30385366 0.81 SIGMAR1 (0.66) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL4975349 0.81 SIGMAR1 (0.66) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL11221332 0.81 CHRM2 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11674095 0.79 SIGMAR1 (0.63) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL28854203 0.79 TAAR1 (0.57) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL13330952 0.79 LMNA (0.60) MEN1KMT2AALDH1A1CYP2D6LMNA
SCHEMBL29787818 0.79 L3MBTL1 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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
WO-2017089472-A1 AMINE FOR CURABLE POLYMER COMPOSITIONS WITH HIGH PROCESS RELIABILITY SIKA TECHNOLOGY AG (CH) 2017-06-01 WO disclosed