SCHEMBL9089687

SCHEMBL9089687

CN(c1nc(NCCO)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 7/20 0.35
ALOX15 P16050 1/20 0.34
SLC29A1 Q99808 4/20 0.32
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL10649671 0.88 KCNH2 (0.33) KCNH2ALOX15
SCHEMBL13688604 0.87 KDM1A (0.34)
SCHEMBL13606383 0.85 DNM2 (0.34) MAPK1KMT2AKCNH2ALOX15SLC29A1
SCHEMBL9088186 0.84 MAPK1 (0.34) CDK1MAPK1KMT2AMEN1GAA
SCHEMBL13588272 0.83 CA1 (0.31)
1,4-Butanediol SCHEMBL9155217 0.82 ALOX15 (0.37) GAAKCNH2ALOX15
SCHEMBL13588271 0.82 ESR1 (0.32)
1,6-Hexanediol SCHEMBL9164328 0.81 ALOX15 (0.37) GAAKCNH2ALOX15
SCHEMBL9091437 0.81 ALOX15 (0.37) GAAKCNH2ALOX15
SCHEMBL18623967 0.81 ALOX15 (0.42) GAAKCNH2ALOX15

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
US-5486556-A HEAT RESISTANT AND PHOTOSTABILITY FOR POLYMERS SANKYO COMPANY, LIMITED (JP) 1996-01-23 US disclosed
US-5446144-A Heat and light resistance SANKYO COMPANY, LIMITED (JP) 1995-08-29 US disclosed