SCHEMBL8521309

SCHEMBL8521309

C=Cc1ccc(CN(C)CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.34
▸ LSS P48449 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6391713 0.88 PYCR1 (0.50) PYCR1ALDH1A1HRH3LSSTSHR
SCHEMBL3285070 0.86 PYCR1 (0.46) PYCR1ALDH1A1HRH3LSSTSHR
SCHEMBL18868383 0.86 PYCR1 (0.48) PYCR1ALDH1A1HRH3LSSTSHR
SCHEMBL18868390 0.81 SIGMAR1 (0.44) PYCR1ALDH1A1MAOBBCHEACHE
SCHEMBL17409806 0.81 BCHE (0.49) PYCR1ALDH1A1HRH3TSHRMAOB
SCHEMBL18874552 0.79 ALDH1A1 (0.50) PYCR1ALDH1A1HRH3TSHRHDAC8
SCHEMBL465236 0.79 HRH3 (0.56) PYCR1ALDH1A1HRH3TSHRHDAC8
SCHEMBL18868380 0.79 PYCR1 (0.43) PYCR1ALDH1A1HRH3LSSTSHR
SCHEMBL9679480 0.79 PYCR1 (0.43) PYCR1ALDH1A1HRH3TSHRHDAC3
Trimethylammonium SCHEMBL2135750 0.78 ALDH1A1 (0.48) PYCR1ALDH1A1TSHRHDAC8CA1

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-5858892-A LARGE REFRACTIVE INDEX DIFFERENCE AND A STABILIZED REFRACTIVE INDEX DISTRIBUTION OLYMPUS OPTICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
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