SCHEMBL9308873

SCHEMBL9308873

CC(=O)N1C(=O)CN(c2ccccc2I)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
CES1 P23141 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
HSD17B3 P37058 2/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34

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
SCHEMBL921684 0.77 NPC1 (0.51) NOTUMSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1304374 0.68 NOTUM (1.00) NOTUMCES1GAASMN1; SMN2NOX1
SCHEMBL29850056 0.68 NOTUM (1.00) NOTUMCES1GAASMN1; SMN2NOX1
SCHEMBL3289324 0.67 MGLL (0.47) SMN1; SMN2KMT2AMEN1MGLLPOLB
SCHEMBL5126303 0.67 SMN1; SMN2 (0.68) NOTUMCES1GAASMN1; SMN2NOX1
SCHEMBL11097554 0.66 MGLL (0.46) GAAKMT2AMEN1MGLLPOLB
SCHEMBL18600523 0.66 ALDH1A1 (0.64) GAASMN1; SMN2KMT2AUSP2MAPT
SCHEMBL27082534 0.66 HSD17B10 (0.41) NOTUMCES1GAASMN1; SMN2NOX1
SCHEMBL27423700 0.65 NOTUM (0.48) NOTUMCES1GAASMN1; SMN2NOX1
SCHEMBL12478981 0.65 GFER (0.45) GAASMN1; SMN2KMT2AMEN1MGLL

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-5281361-A Peroxide bleach, cationic nitrile precursor to activate bleach LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-01-25 US disclosed