SCHEMBL6641002

SCHEMBL6641002

CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(CCCF)cn(CC)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.45
PDE5A O76074 2/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
PABPC1 P11940 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL6648050 0.96 KMT2A (0.45) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL6644709 0.94 KMT2A (0.44) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL6646060 0.94 KMT2A (0.43) KMT2AMEN1PDE5APKMPABPC1
SCHEMBL6644230 0.92 KMT2A (0.53) KMT2AMEN1PDE5APOLBPKM
SCHEMBL6642309 0.92 KMT2A (0.45) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL6643697 0.92 KMT2A (0.43) KMT2AMEN1POLBLMNATSHR
SCHEMBL6641750 0.91 KMT2A (0.46) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL6641264 0.90 PDE5A (0.43) KMT2AMEN1PDE5APOLBPKM
SCHEMBL6642399 0.89 PDE5A (0.48) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL6475154 0.88 KMT2A (0.46) KMT2AMEN1PDE5APOLBLMNA

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-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed