SCHEMBL8105863

SCHEMBL8105863

CC1(CSc2ccccc2)CC(C(=O)c2ccc(Cl)cc2)CC[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ KCNH2 Q12809 1/20 0.41
▸ MGLL Q99685 6/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35

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
SCHEMBL8149813 0.85 KCNH2 (0.44) ALDH1A1LMNAKCNH2MGLLKMT2A
SCHEMBL8155669 0.81 LMNA (0.47) LMNAKCNH2MGLLKMT2AMEN1
SCHEMBL8154751 0.80 KCNH2 (0.50) LMNAKCNH2MGLLKMT2AMEN1
SCHEMBL8105639 0.74 KMT2A (0.43) ALDH1A1LMNAKCNH2KMT2ASMN1; SMN2
SCHEMBL8109646 0.73 MGLL (0.43) LMNAMGLLKMT2AMEN1MAPT
SCHEMBL8096311 0.72 MGLL (0.42) LMNAMGLLKMT2AMEN1MAPT
SCHEMBL8105866 0.67 MGLL (0.56) ALDH1A1KCNH2MGLLKMT2AMEN1
SCHEMBL8557472 0.66 KMT2A (0.50) ALDH1A1LMNAKCNH2MGLLKMT2A
SCHEMBL2297101 0.65 MGLL (0.58) LMNAMGLLKMT2AMEN1MAPT
(4-Chlorophenyl)(Cyclopropyl)Methanone SCHEMBL6220062 0.63 MGLL (0.64) LMNAKCNH2MGLLKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 — — US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 — — US disclosed
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