SCHEMBL6545085

SCHEMBL6545085

CCc1ccc2c(n1)C(=N)N(CC(=O)c1ccc([O])c(C(C)(C)C)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
F2R P25116 12/20 0.34
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 2/20 0.30

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
Bromide SCHEMBL1731787 0.89 HSP90AA1 (0.40) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14449085 0.88 F2R (0.43) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730897 0.87 F2R (0.42) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729851 0.87 KDM4E (0.35) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5488725 0.85 F2R (0.39) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731726 0.85 KDM4E (0.34) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1732042 0.85 PTGDR2 (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730139 0.84 NPC1 (0.33) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1729531 0.84 F2R (0.38) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5481823 0.84 PTGDR2 (0.40) KDM4EMAPTRAB9ANPC1SMN1; SMN2

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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed