SCHEMBL11501290

SCHEMBL11501290

CCCCCNC(CCCl)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL719934 0.73 EPHX1 (0.39) ALDH1A1KDM4E
SCHEMBL720552 0.73 EPHX1 (0.39) ALDH1A1KDM4E
SCHEMBL11496670 0.72 ALDH1A1 (0.56) MAPTALDH1A1HRH3L3MBTL1MAPK1
SCHEMBL4564723 0.70 ALDH1A1 (0.36) MAPTALDH1A1HRH3L3MBTL1MAPK1
SCHEMBL21478037 0.69 ALDH1A1 (0.33) MAPTALDH1A1MEN1KMT2A
SCHEMBL540785 0.68 HTT (0.39) MAPTALDH1A1HRH3MAPK1NPSR1
SCHEMBL11501286 0.68 KDM4E (0.43) ALDH1A1HRH3KDM4E
Bromide SCHEMBL5550542 0.67 TSHR (0.40) MAPTALDH1A1HRH3L3MBTL1MAPK1
SCHEMBL6680038 0.67 ALDH1A1 (0.45) MAPTALDH1A1HRH3L3MBTL1MAPK1
Bromide SCHEMBL5547799 0.67 TSHR (0.40) MAPTALDH1A1HRH3L3MBTL1MAPK1

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
US-4212866-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-07-15 US disclosed