SCHEMBL6814820

SCHEMBL6814820

O=C(Nc1ccc(NC(=S)Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
RAB9A P51151 5/20 0.64
ALDH1A1 P00352 5/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 2/20 0.64
MCL1 Q07820 1/20 0.64
TLR8 Q9NR97 1/20 0.53
P2RX1 P51575 3/20 0.49
P2RX7 Q99572 2/20 0.49
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
P2RX4 Q99571 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 3/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL6819157 0.99 MAPT (0.62) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6811898 0.91 KDM4E (0.57) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6814414 0.91 RAB9A (0.52) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6811322 0.86 TLR8 (0.68) MAPTRAB9ANPC1SMN1; SMN2TLR8
SCHEMBL6814825 0.85 MAPT (0.57) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6819166 0.84 MAPT (0.56) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1419995 0.84 ALDH1A1 (0.55) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6815997 0.81 TLR8 (0.58) MAPTRAB9ANPC1SMN1; SMN2TLR8
SCHEMBL7643305 0.80 MEN1 (0.47) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6814097 0.80 MAPT (0.58) MAPTRAB9AALDH1A1NPC1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed