SCHEMBL3476543

SCHEMBL3476543

CN(CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
LMNA P02545 6/20 0.48
GAA P10253 5/20 0.48
TDP1 Q9NUW8 5/20 0.48
KMT2A Q03164 5/20 0.48
APAF1 O14727 4/20 0.48
MEN1 O00255 4/20 0.48
SENP8 Q96LD8 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP6 Q9GZR1 3/20 0.48
NSD2 O96028 2/20 0.48
CASP3 P42574 2/20 0.48
SAE1 Q9UBE0 2/20 0.48
UBA2 Q9UBT2 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 9/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
PPP1CA P62136 1/20 0.42
THRB P10828 1/20 0.42
GALK1 P51570 1/20 0.42

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
SCHEMBL3476321 0.94 MAPT (0.48) MAPTLMNAGAATDP1KMT2A
SCHEMBL3477758 0.90 MAPT (0.47) MAPTLMNAGAATDP1KMT2A
SCHEMBL3477339 0.88 MAPT (0.46) MAPTLMNAGAATDP1KMT2A
SCHEMBL3476863 0.88 KMT2A (0.46) MAPTLMNAGAATDP1KMT2A
SCHEMBL3476026 0.88 MAPT (0.64) MAPTLMNAGAATDP1KMT2A
SCHEMBL3477429 0.82 APAF1 (0.43) MAPTLMNAGAATDP1KMT2A
SCHEMBL2789360 0.81 APAF1 (0.52) MAPTLMNAGAATDP1KMT2A
SCHEMBL3475711 0.79 GAA (0.44) MAPTLMNAGAATDP1KMT2A
SCHEMBL3477427 0.79 RAF1 (0.49) MAPTGAAAPAF1SENP8SENP7
SCHEMBL3476638 0.79 GAA (0.45) MAPTLMNAGAATDP1KMT2A

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
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed