SCHEMBL7784349

SCHEMBL7784349

O=C(Cc1ccccc1)Nc1ccc(N(S)C(=O)NCCc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
EPHX2 P34913 2/20 0.54
LTA4H P09960 1/20 0.54
RORC P51449 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL7782983 0.86 NPC1 (0.56) HDAC1HDAC2SMN1; SMN2RAB9AKMT2A
SCHEMBL7597339 0.85 KMT2A (0.54) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL7566626 0.83 POLB (0.55) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL7782535 0.82 MEN1 (0.55) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7785673 0.82 MEN1 (0.55) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6816350 0.82 LMNA (0.57) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL7784348 0.82 MAPT (0.66) GAAEPHX2LTA4HSMN1; SMN2RAB9A
SCHEMBL7597107 0.80 KMT2A (0.46) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL7595409 0.80 SMN1; SMN2 (0.50) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL7568846 0.80 NPC1 (0.49) GAARORCRAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed