SCHEMBL7948484

SCHEMBL7948484

COc1cc(OC)c(N(S)C(=O)Nc2ccc(N3C(O)c4ccccc4C3O)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.43
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
S1PR2 O95136 2/20 0.35
GRM4 Q14833 2/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6819252 0.81 SCN2A (0.48) SHMT2LMNAKMT2AMEN1MAPT
SCHEMBL6811061 0.80 KMT2A (0.43) SHMT2LMNAKMT2AMEN1MAPT
SCHEMBL6816575 0.78 KMT2A (0.55) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL6811724 0.77 MAPT (0.45) SHMT2LMNAKMT2AMEN1MAPT
SCHEMBL27484291 0.76 ALDH1A1 (0.57) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL6815692 0.76 MEN1 (0.50) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7981251 0.76 ALDH1A1 (0.49) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6811079 0.73 MAPT (0.42) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6815677 0.71 PARP1 (0.50) SHMT2LMNAKMT2AMAPTKDM4E
SCHEMBL6815087 0.71 MEN1 (0.47) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed