SCHEMBL8763345

SCHEMBL8763345

Cc1ccc(CNC(=O)C(C)I)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.54
NPC1 O15118 3/20 0.53
ANPEP P15144 1/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.50
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL12757443 0.85 KMT2A (0.63) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL15338749 0.84 KMT2A (0.63) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL30956341 0.82 MEN1 (0.59) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL11737517 0.82 KMT2A (0.59) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL22221161 0.82 KMT2A (0.59) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL12884451 0.81 KMT2A (0.55) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL5016485 0.81 KMT2A (0.62) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL10954350 0.80 KMT2A (0.61) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL19763089 0.80 KMT2A (0.61) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL3755675 0.80 KMT2A (0.61) KMT2AMEN1GAASMN1; SMN2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473225-B1 Process for iodinating or brominating the alpha-methylenic carbon of a 3-oxo-4aza-steroid MERCK & CO INC (US) 1997-07-09 EP disclosed
US-5120847-A Chemical intermediate which can be dehydrohalogenation MERCK & CO., INC. (US) 1992-06-09 US disclosed
EP-0473225-A2 Process for iodinating or brominating the alpha-methylenic carbon of a secondary amide MERCK & CO. INC. (US) 1992-03-04 EP disclosed