SCHEMBL14449149

SCHEMBL14449149

CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1ccc(OS(C)(=O)=O)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
F2R P25116 5/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 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 SCHEMBL1730466 0.99 KDM4E (0.36) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14468952 0.90 THRA (0.30) THRATHRB
Bromide SCHEMBL1732469 0.88 KDM4E (0.37) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731328 0.88 KDM4E (0.37) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1732608 0.88 F2R (0.39) KDM4EMAPTRAB9ANPC1F2R
SCHEMBL14449148 0.88 F2R (0.40) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731761 0.88 F2R (0.36) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731032 0.87 F2R (0.40) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730945 0.86 F2R (0.37) KDM4EMAPTRAB9ANPC1F2R
Bromide SCHEMBL1729841 0.86 KDM4E (0.35) 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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed