SCHEMBL11728263

SCHEMBL11728263

CCCNP(N)(=O)N(CCC)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
KCNA5 P22460 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KCNN4 O15554 1/20 0.31
HTT P42858 2/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL11723546 0.86 KCNA5 (0.43) RAB9AKCNA5L3MBTL1MEN1KMT2A
SCHEMBL11716270 0.85 HPGD (0.36) RAB9AL3MBTL1MEN1KMT2ATSHR
SCHEMBL11721713 0.83 L3MBTL1 (0.43) RAB9APOLBL3MBTL1LMNAALDH1A1
SCHEMBL11719747 0.76 MAPT (0.38) RAB9APOLBMEN1KMT2AHTT
SCHEMBL11719934 0.70 NPC1 (0.45) RAB9AMEN1KMT2AHTTALDH1A1
SCHEMBL3887239 0.68
SCHEMBL28930187 0.62 MEN1 (0.59) L3MBTL1MEN1KMT2AHTTMAPT
SCHEMBL28138693 0.62 ALDH1A1 (0.46) RAB9APOLBKMT2AMAPTTSHR
SCHEMBL516400 0.62 CYP2C19 (0.48) L3MBTL1HTTMAPTTSHRMAPK1
SCHEMBL11723158 0.61 ALDH1A1 (0.41) RAB9AMEN1KMT2AHTTMAPT

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
US-4018855-A THIOPHOSPHORAMIDES UOP INC. (US) 1977-04-19 US disclosed