SCHEMBL18635637

SCHEMBL18635637

Nc1cc(-c2ccc(N)c(/N=C/c3ccccc3)c2)ccc1/N=C/I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIG1 P18858 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
GAA P10253 4/20 0.36
GLA P06280 2/20 0.36
NPC1 O15118 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
SCHEMBL5470892 0.93 MAPT (0.43) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5470889 0.93 MAPT (0.43) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5482714 0.87 MAPT (0.47) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5482713 0.87 MAPT (0.47) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL19292737 0.84 MAPT (0.40) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5482715 0.81 CA12 (0.46) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5081728 0.77 MAPT (0.53) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5081727 0.77 MAPT (0.53) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5484284 0.75 CA2 (0.50) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL5085334 0.75 MAPT (0.51) ALDH1A1KDM4EMAPTLMNAHPGD

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-2804888-B1 PROTON-CONDUCTING MEMBRANE, METHOD FOR THEIR PRODUCTION AND THEIR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2017-03-15 EP disclosed