SCHEMBL18459217

SCHEMBL18459217

Nc1ccc(C[n+]2cc[nH]c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 3/20 0.48
▸ F2 P00734 3/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ FDPS P14324 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL15367679 0.81 CHKA (0.48) CHKAALDH1A1BCHEACHE
SCHEMBL25804024 0.81 FDPS (0.33) CHKAFDPS
SCHEMBL12014096 0.80 IDO1 (0.38) CHKABCHEACHE
Benzylimidazole SCHEMBL339106 0.80 ALDH1A1 (0.46) CHKAALDH1A1ACHE
Water SCHEMBL28218483 0.79 CHKA (0.47) CHKAALDH1A1BCHEACHE
Benzylimidazole SCHEMBL3786784 0.78 ALDH1A1 (0.44) CHKAALDH1A1ACHE
Benzylimidazole SCHEMBL1123480 0.78 ALDH1A1 (0.49) CHKAALDH1A1ACHE
Benzylimidazole SCHEMBL16237306 0.78 CHKA (0.46) CHKAALDH1A1ACHE
SCHEMBL23301461 0.77 ALDH1A1 (0.38) CHKAALDH1A1TSHRFDPSBCHE
Bromide SCHEMBL30070960 0.75 ALDH1A1 (0.37) CHKAALDH1A1BCHEACHE

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
WO-2016122887-A9 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2017-02-02 — — WO disclosed
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