SCHEMBL13828465

SCHEMBL13828465

N#COc1ccc(Cc2ccc(NC(=O)N(C(=O)Nc3ccc(Cc4ccc(N=C=O)cc4)cc3)c3ccc(Cc4ccc(N(C(=O)Nc5ccc(Cc6ccc(N=C=O)cc6)cc5)C(=O)Nc5ccc(Cc6ccc(OC#N)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SAE1 Q9UBE0 2/20 0.37
UBA2 Q9UBT2 2/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 4/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
IL18 Q14116 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL13828462 1.00 CYP3A4 (0.43) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL19214039 1.00 CYP3A4 (0.43) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL13828464 0.97 SAE1 (0.43) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL23048447 0.90 SAE1 (0.44) TSHRSAE1UBA2MAPTCA12
SCHEMBL12632812 0.89 TSHR (0.56) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL12632737 0.89 TSHR (0.56) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL19214037 0.86 SAE1 (0.51) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL12632480 0.85 TSHR (0.51) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL13830657 0.83 TSHR (0.49) CYP3A4TSHRSAE1UBA2CYP1A2
SCHEMBL17232006 0.82 TSHR (0.46) CYP3A4TSHRSAE1UBA2CYP1A2

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-9034936-B2 Flame retardant polyurethane foams containing biuret linkages DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-19 US disclosed
US-20120289619-A1 Flame Retardant Polyurethane Foams Containing Biuret Linkages DOW GLOBAL TECHNOLOGIES LLC. 2012-11-15 US disclosed