SCHEMBL7743925

SCHEMBL7743925

CCC(NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
TP53 P04637 4/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.41
KDR P35968 1/20 0.39
MMP2 P08253 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
QPCT Q16769 2/20 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
SCHEMBL7743487 0.93 MAPT (0.56) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7743456 0.91 MAPT (0.54) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7744016 0.87 MAPT (0.61) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7745937 0.87 MAPT (0.61) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7737922 0.86 CYP2C9 (0.44) MAPTALDH1A1MEN1KMT2AKDR
SCHEMBL7744018 0.84 MAPT (0.59) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7979004 0.83 MAPT (0.71) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7745917 0.80 MAPT (0.64) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL6811101 0.80 MAPT (0.56) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL6814080 0.79 MAPT (0.63) MAPTALDH1A1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US claimed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed