SCHEMBL23048447

SCHEMBL23048447

N#COc1ccc(Cc2ccc(NC(=O)N(C(=O)Nc3ccc(Cc4ccc(OC#N)cc4)cc3)c3ccc(Cc4ccc(OC#N)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
IL18 Q14116 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 1/20 0.35
NPY5R Q15761 1/20 0.35
NOX1 Q9Y5S8 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL19214039 0.90 CYP3A4 (0.43) SAE1UBA2MAPTLMNAMEN1
SCHEMBL13828465 0.90 CYP3A4 (0.43) SAE1UBA2MAPTLMNAMEN1
SCHEMBL13828462 0.90 CYP3A4 (0.43) SAE1UBA2MAPTLMNAMEN1
SCHEMBL13828464 0.87 SAE1 (0.43) SAE1UBA2MAPTLMNAMEN1
SCHEMBL19216513 0.83 SAE1 (0.64) SAE1UBA2MAPTLMNAMEN1
SCHEMBL19214036 0.81 SAE1 (0.50) SAE1UBA2MAPTLMNAMEN1
SCHEMBL14668125 0.80 TSHR (0.56) SAE1UBA2MAPTLMNAMEN1
SCHEMBL19043004 0.79 SAE1 (0.55) SAE1UBA2MAPTLMNAPOLB
SCHEMBL21573535 0.77 SAE1 (0.78) SAE1UBA2MAPTLMNAMEN1
SCHEMBL18844746 0.75 HPGD (0.57) SAE1UBA2MAPTLMNAMEN1

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
EP-2513183-B1 FLAME RETARDANT POLYURETHANE FOAMS CONTAINING BIURET LINKAGES DOW GLOBAL TECHNOLOGIES LLC (US) 2021-03-03 EP disclosed