SCHEMBL11206002

SCHEMBL11206002

COc1ccccc1NCC(CNc1ccccc1OC)Nc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CHRM2 P08172 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL11098195 0.92 MAPT (0.47) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL7615058 0.84 CHRM2 (0.51) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL18236653 0.81 CHRM2 (0.53) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL6327499 0.77 MAPT (0.56) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL10632588 0.77 CHRM2 (0.59) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL16340151 0.76 MAPT (0.51) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL28587054 0.76 ALDH1A1 (0.49) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL7771131 0.76 ALDH1A1 (0.47) MAPTTDP1GAAALDH1A1SMN1; SMN2
SCHEMBL30994802 0.75 CHRM2 (0.58) MAPTCHRM2MEN1KMT2ATDP1
SCHEMBL1644887 0.75 ALDH1A1 (0.50) MAPTKMT2ATDP1GAAALDH1A1

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
EP-0087709-A1 N,N',N\"-triaryl-1,2,3-triaminopropane derivatives, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-07 EP disclosed