SCHEMBL18106924

SCHEMBL18106924

CCC(N)(O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
CYP19A1 P11511 1/20 0.38
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PSMD14 O00487 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL28049734 0.82 ESR1 (0.58) MAPTKIF11ALDH1A1MAPK1HPGD
Hydrochloric Acid SCHEMBL6463385 0.80 ESR1 (0.56) KIF11ALDH1A1HPGDTSHRCYP3A4
SCHEMBL28065526 0.79 KCNN4 (0.46) MAPTKIF11ALDH1A1MAPK1TSHR
SCHEMBL11143362 0.79 MAPT (0.47) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL42067 0.79 KCNN4 (0.46) MAPTKIF11ALDH1A1MAPK1TSHR
SCHEMBL5085651 0.79 KCNN4 (0.46) MAPTKIF11ALDH1A1MAPK1TSHR
SCHEMBL13917833 0.79 MAPT (0.47) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL7615184 0.79 MAPT (0.47) MAPTNPC1RAB9AKIF11ALDH1A1
SCHEMBL27940468 0.78 LOXL2 (0.43) KIF11ESR1ESR2
SCHEMBL27760612 0.78 CNR2 (0.49) MAPTNPC1RAB9AALDH1A1TSHR

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-2658505-B1 OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2016-10-05 EP disclosed