SCHEMBL3241975

SCHEMBL3241975

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
PKM P14618 2/20 0.45
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
BRD4 O60885 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3255514 0.93 MEN1 (0.45) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3261788 0.93 HIF1A (0.45) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3250519 0.92 BRD4 (0.50) MEN1KMT2ARAB9ALMNAPKM
SCHEMBL3253042 0.92 HIF1A (0.47) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3250772 0.92 HTT (0.42) MEN1KMT2ARAB9APKMALOX15
SCHEMBL3255483 0.91 BRD4 (0.50) MEN1KMT2ASMN1; SMN2PKMALOX15
SCHEMBL3255510 0.91 BRD4 (0.54) MEN1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL3255929 0.90 BRD4 (0.53) MEN1KMT2ARAB9AALOX15MAPK1
SCHEMBL3255981 0.89 HIF1A (0.49) MEN1KMT2ALMNAPKMALOX15
SCHEMBL3249374 0.89 CHEK1 (0.47) MEN1KMT2ALMNASMN1; SMN2ALOX15

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed