SCHEMBL19952637

SCHEMBL19952637

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GIGYF2 Q6Y7W6 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ SORT1 Q99523 1/20 0.45
▸ GBA1 P04062 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
▸ TDP1 Q9NUW8 1/20 0.44
▸ EGFR P00533 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
▸ LOX P28300 2/20 0.44
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ LY6K Q17RY6 1/20 0.43

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
SCHEMBL19952732 0.99 ITGB1 (0.47) GIGYF2ITGB1ITGA4SORT1GBA1
SCHEMBL19952710 0.93 LOXL2 (0.53) GIGYF2ITGB1ITGA4CA12CA1
SCHEMBL19960753 0.92 GIGYF2 (0.46) GIGYF2ITGB1ITGA4SORT1GBA1
Hydrochloric Acid SCHEMBL19952640 0.92 LOXL2 (0.53) GIGYF2ITGB1ITGA4CA12CA1
SCHEMBL19952750 0.92 LOXL2 (0.54) GIGYF2ITGB1ITGA4CA12CA1
SCHEMBL21067002 0.92 SORT1 (0.46) GIGYF2ITGB1ITGA4SORT1GBA1
Hydrochloric Acid SCHEMBL19952655 0.91 LOXL2 (0.54) GIGYF2ITGB1ITGA4CA12CA1
SCHEMBL21066980 0.89 SORT1 (0.46) GIGYF2ITGB1ITGA4SORT1GBA1
SCHEMBL21067001 0.89 SORT1 (0.47) GIGYF2ITGB1ITGA4SORT1GBA1
SCHEMBL19952704 0.86 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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