SCHEMBL6675699

SCHEMBL6675699

Cn1cccc1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9521506 0.82 TSHR (0.38) MEN1KMT2ATSHRTRIM24TRIM33
SCHEMBL3882545 0.82 RAB9A (0.39) MEN1KMT2ATSHRTRIM24TRIM33
SCHEMBL7051200 0.80 TSHR (0.36) MEN1KMT2ATSHRTRIM24TRIM33
SCHEMBL9241945 0.78 KDM4E (0.41) MEN1KMT2ATSHRTRIM24TRIM33
SCHEMBL27265940 0.77 ELANE (0.41) KMT2ATSHRTRIM24TRIM33SMN1; SMN2
SCHEMBL6675961 0.77 MEN1 (0.38) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28685082 0.76 KMT2A (0.37) MEN1KMT2ATSHRTRIM24TRIM33
SCHEMBL7455044 0.76 RAB9A (0.33) MEN1KMT2ATSHRTRIM24TRIM33
SCHEMBL29020266 0.72 TSHR (0.51) KMT2ATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL18032831 0.72

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-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed