SCHEMBL19952732

SCHEMBL19952732

O=C(O)NCc1cc(Oc2cccc(C(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)nc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.47
▸ ITGA4 P13612 2/20 0.47
▸ GIGYF2 Q6Y7W6 1/20 0.46
▸ SORT1 Q99523 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ EGFR P00533 2/20 0.45
▸ LOX P28300 2/20 0.44
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ PSEN1 P49768 3/20 0.44
▸ PSEN2 P49810 3/20 0.44
▸ APH1B Q8WW43 3/20 0.44
▸ NCSTN Q92542 3/20 0.44
▸ APH1A Q96BI3 3/20 0.44
▸ PSENEN Q9NZ42 3/20 0.44
▸ LY6K Q17RY6 1/20 0.44

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
SCHEMBL19952637 0.99 GIGYF2 (0.46) ITGB1ITGA4GIGYF2SORT1CA12
SCHEMBL19952750 0.92 LOXL2 (0.54) ITGB1ITGA4GIGYF2CA12CA1
SCHEMBL21067002 0.92 SORT1 (0.46) ITGB1ITGA4GIGYF2SORT1CA12
SCHEMBL19952710 0.92 LOXL2 (0.53) ITGB1ITGA4GIGYF2CA12CA1
Hydrochloric Acid SCHEMBL19952655 0.92 LOXL2 (0.54) ITGB1ITGA4GIGYF2CA12CA1
SCHEMBL19960753 0.92 GIGYF2 (0.46) ITGB1ITGA4GIGYF2SORT1CA12
Hydrochloric Acid SCHEMBL19952640 0.91 LOXL2 (0.53) ITGB1ITGA4GIGYF2CA12CA1
SCHEMBL21067001 0.89 SORT1 (0.47) ITGB1ITGA4GIGYF2SORT1CA12
SCHEMBL21066980 0.89 SORT1 (0.46) ITGB1ITGA4GIGYF2SORT1CA12
SCHEMBL19952755 0.87 LOXL2 (0.52) SORT1LOXLOXL2LY6K

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
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 — — EP disclosed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
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