SCHEMBL28856302

SCHEMBL28856302

CCc1ccc(CC)c(NN)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 1/20 0.36
KAT2B Q92831 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BACE1 P56817 1/20 0.35
PLK1 P53350 1/20 0.34

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
Bromide SCHEMBL20984475 0.98 MAPT (0.40) MAPTALDH1A1GAATRPA1CYP1A2
Hydrochloric Acid SCHEMBL20984391 0.98 MAPT (0.40) MAPTALDH1A1GAATRPA1CYP1A2
Oxalic Acid SCHEMBL20984114 0.91 ALDH1A1 (0.40) MAPTALDH1A1GAATRPA1RAB9A
Phosphoric Acid SCHEMBL20984659 0.91 SRC (0.40) MAPTALDH1A1GAATRPA1LMNA
Sulfuric Acid SCHEMBL20984880 0.91 ALDH1A1 (0.39) MAPTALDH1A1GAATRPA1NPC1
Nitric Acid SCHEMBL20984827 0.88 KAT2B (0.42) MAPTALDH1A1GAATRPA1LMNA
SCHEMBL28200146 0.83 BACE1 (0.39) MAPTALDH1A1GAATRPA1CYP1A2
SCHEMBL29196075 0.83 TRPA1 (0.41) MAPTALDH1A1GAATRPA1CYP1A2
Bromide SCHEMBL20984854 0.82 BACE1 (0.38) MAPTALDH1A1GAATRPA1CYP1A2
Hydrochloric Acid SCHEMBL20984549 0.82 KAT2B (0.41) MAPTALDH1A1GAATRPA1CYP1A2

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
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed