SCHEMBL6932262

SCHEMBL6932262

CCCCNC1CC(C)(C)N(c2nc(NCCCNCCNCCCNc3nc(N4C(C)(C)CC(NCCCC)CC4(C)C)nc(N4C(C)(C)CC(NCCCC)CC4(C)C)n3)nc(N3C(C)(C)CC(NCCCC)CC3(C)C)n2)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MERTK Q12866 2/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
GAS6 Q14393 1/20 0.34
CXCR4 P61073 2/20 0.32
SLC29A1 Q99808 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 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
SCHEMBL39151 0.80
SCHEMBL9250598 0.77 FLT3 (0.33) MERTKFLT3TYRO3GAS6HRH4
SCHEMBL9371836 0.77 MERTK (0.39) MEN1LMNAKMT2AMERTKFLT3
SCHEMBL6934625 0.77
SCHEMBL9371300 0.75 ALDH1A1 (0.46) MEN1LMNAKMT2ATSHREHMT2
SCHEMBL11722963 0.73 KMT2A (0.42) MEN1LMNAKMT2AMERTKEHMT2
SCHEMBL4581818 0.72 FLT3 (0.31) MERTKFLT3TYRO3GAS6
SCHEMBL11729632 0.71 KMT2A (0.37) MEN1LMNAKMT2AMERTKEHMT2
SCHEMBL11770477 0.71 KMT2A (0.37) MEN1LMNAKMT2AMERTKEHMT2
SCHEMBL12910969 0.69 ALDH1A1 (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742254-B1 Resin having reduced rate of sulfur acceptance CLARIANT GMBH (DE) 2003-09-03 EP claimed
US-5852159-A Plastic with reduced sulfur uptake rate HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 US claimed
EP-0742254-A2 Resin having reduced rate of sulfur acceptance HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP claimed
EP-0742254-B1 Resin having reduced rate of sulfur acceptance CLARIANT GMBH (DE) 2003-09-03 EP disclosed
US-5852159-A Plastic with reduced sulfur uptake rate HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0742254-A2 Resin having reduced rate of sulfur acceptance HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed