SCHEMBL7846065

SCHEMBL7846065

Cc1cccc(CCNC(=O)N(S)c2ccc(NC(=O)c3ccccc3F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CNR1 P21554 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALOX12 P18054 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL6814958 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7600322 0.90 CNR1 (0.52) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7599461 0.89 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL6816658 0.89 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7599218 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL6811348 0.89 CNR1 (0.50) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7598148 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7597613 0.87 CNR1 (0.51) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7599044 0.86 CNR1 (0.50) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7785390 0.85 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed