SCHEMBL13830657

SCHEMBL13830657

Cc1ccc(NC(=O)N(C(=O)Nc2ccc(Cc3ccc(N=C=O)cc3)cc2)c2ccc(Cc3ccc(N=C=O)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP1A2 P05177 1/20 0.39
NPC1 O15118 3/20 0.39
SAE1 Q9UBE0 3/20 0.39
UBA2 Q9UBT2 3/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPK1 P28482 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
SCHEMBL12632737 0.94 TSHR (0.56) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL12632812 0.94 TSHR (0.56) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL12632480 0.90 TSHR (0.51) TSHRCYP3A4CYP1A2NPC1SAE1
SCHEMBL19214039 0.83 CYP3A4 (0.43) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL13828462 0.83 CYP3A4 (0.43) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL13828465 0.83 CYP3A4 (0.43) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL17525632 0.81 TSHR (0.53) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL13828464 0.80 SAE1 (0.43) TSHRCYP3A4CYP1A2NPC1SAE1
SCHEMBL13158577 0.80 TSHR (0.51) TSHRCYP3A4CYP1A2SAE1UBA2
SCHEMBL12604117 0.79 TSHR (0.65) TSHRCYP3A4CYP1A2NPC1SAE1

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-20120289619-A1 Flame Retardant Polyurethane Foams Containing Biuret Linkages DOW GLOBAL TECHNOLOGIES LLC. 2012-11-15 US disclosed