SCHEMBL3476863

SCHEMBL3476863

COC(=O)c1ccc(C(=O)NCCN(C)CCNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPT P10636 11/20 0.46
LMNA P02545 6/20 0.46
GAA P10253 5/20 0.46
TDP1 Q9NUW8 5/20 0.46
APAF1 O14727 4/20 0.46
SENP8 Q96LD8 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
SENP6 Q9GZR1 3/20 0.46
MEN1 O00255 3/20 0.46
NSD2 O96028 2/20 0.46
CASP3 P42574 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
UBA2 Q9UBT2 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 11/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
PPP1CA P62136 1/20 0.41
HTT P42858 4/20 0.41
POLB P06746 3/20 0.41

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
SCHEMBL3477758 0.92 MAPT (0.47) KMT2AMAPTLMNAGAATDP1
SCHEMBL3476543 0.88 MAPT (0.48) KMT2AMAPTLMNAGAATDP1
SCHEMBL3476321 0.87 MAPT (0.48) KMT2AMAPTLMNAGAATDP1
SCHEMBL3476026 0.85 MAPT (0.64) KMT2AMAPTLMNAGAATDP1
SCHEMBL3477339 0.85 MAPT (0.46) KMT2AMAPTLMNAGAATDP1
SCHEMBL2789360 0.79 APAF1 (0.52) KMT2AMAPTLMNAGAATDP1
SCHEMBL3477405 0.78 GAA (0.46) KMT2AMAPTLMNAGAATDP1
SCHEMBL3475711 0.78 GAA (0.44) KMT2AMAPTLMNAGAATDP1
SCHEMBL3477429 0.76 APAF1 (0.43) KMT2AMAPTLMNAGAATDP1
SCHEMBL3477418 0.76 CA9 (0.54) KMT2AMAPTLMNAGAATDP1

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