SCHEMBL18361802

SCHEMBL18361802

O=C(O)CN1C(=O)CCc2c(Oc3cc(CNCl)ncn3)cccc21

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 7/20 0.77
▸ MAP2K7 O14733 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR6 P50406 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ THRB P10828 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
SCHEMBL18362030 0.88 LOXL2 (0.59) LOXL2MAP2K7HTR6SIGMAR1
SCHEMBL19952936 0.88 LOXL2 (0.98) LOXL2MAP2K7MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL20337945 0.87 LOXL2 (1.00) LOXL2MAP2K7MEN1KMT2ASIGMAR1
SCHEMBL18361801 0.86 LOXL2 (0.70) LOXL2THRB
SCHEMBL18362116 0.83 LOXL2 (0.54) LOXL2HTR6SIGMAR1
SCHEMBL20337892 0.81 LOXL2 (0.62) LOXL2MAP2K7SIGMAR1
SCHEMBL20337855 0.77 LOXL2 (0.58) LOXL2HTR6SIGMAR1
SCHEMBL18361800 0.77 LOXL2 (0.57) LOXL2MEN1KMT2ACYP1A2THRB
SCHEMBL18362005 0.76 LOXL2 (0.77) LOXL2MEN1KMT2ACYP1A2
SCHEMBL18362024 0.76 LOXL2 (0.56) LOXL2SIGMAR1

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-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 — — WO disclosed
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