SCHEMBL18708207

SCHEMBL18708207

C=C(CNCc1cc(C(=O)Oc2ccc(C(C)(C)C)cc2)ccn1)N(CC)CCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.58
▸ KDM5C P41229 8/20 0.58
▸ KDM5A P29375 7/20 0.58
▸ KDM4C Q9H3R0 2/20 0.58
▸ KDM4A O75164 2/20 0.54
▸ KDM6B O15054 1/20 0.54
▸ KDM2B Q8NHM5 1/20 0.54
▸ KDM5D Q9BY66 1/20 0.53
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NFKB1 P19838 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL16291973 0.91 KDM5B (0.71) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676454 0.90 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708205 0.81 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708312 0.81 KDM5B (0.80) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15635919 0.81 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291993 0.80 KDM5B (0.50) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708513 0.78 KDM5B (0.59) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676505 0.76 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676423 0.75 KDM5B (0.54) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15637682 0.75 KDM5B (0.86) KDM5BKDM5CKDM5AKDM4CKDM4A

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-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
Send feedback