SCHEMBL10907331

SCHEMBL10907331

CC1(C)CC(CCCCNc2nc(NCCCO)nc(NCCCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.36
SLC29A1 Q99808 1/20 0.33
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL9861681 1.00 KCNH3 (0.38) KCNH3KMT2ATSHRSLC29A1CDK1
SCHEMBL10910185 0.99 KMT2A (0.40) KCNH3KMT2ATSHRSLC29A1CDK1
SCHEMBL11101380 0.94 KMT2A (0.43) KCNH3KMT2ATSHRSLC29A1CDK1
SCHEMBL11168811 0.93 TSHR (0.36) KCNH3KMT2ATSHRKDM4EGAA
SCHEMBL9367808 0.91 TSHR (0.36) KCNH3KMT2ATSHRKDM4EGAA
SCHEMBL10813615 0.89 KMT2A (0.34) KCNH3KMT2ATSHRSLC29A1CA1
SCHEMBL9249642 0.89 TSHR (0.36) KMT2ATSHRGAA
SCHEMBL9524836 0.88 TSHR (0.35) KCNH3KMT2ATSHR
SCHEMBL11250098 0.86 TSHR (0.33) TSHR
SCHEMBL711949 0.86 KMT2A (0.43) KMT2ATSHRMEN1CA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064752-B1 PHOSPHAZENES SUBSTITUTED BY PIPERIDYL GROUPS, PROCESS FOR PREPARING THEM, THEIR USE AS STABILIZERS AND POLYMER COMPOSITIONS STABILIZED BY THEM HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-08 EP disclosed
US-4451400-A Phosphazenes useful as stabilizers in polymers HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed
EP-0064752-A2 Phosphazenes substituted by piperidyl groups, process for preparing them, their use as stabilizers and polymer compositions stabilized by them HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-17 EP disclosed