SCHEMBL6816178

SCHEMBL6816178

O=C(Nc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1Cl)OCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
CHRNA7 P36544 5/20 0.50
KCNH2 Q12809 5/20 0.50
GRM4 Q14833 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL6819354 0.86 ALDH1A1 (0.72) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6812259 0.86 ALDH1A1 (0.72) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6815261 0.85 ALDH1A1 (0.71) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6816186 0.84 KDM4E (0.45) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6814563 0.84 SMN1; SMN2 (0.67) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6815925 0.83 ALDH1A1 (0.55) HPGDALDH1A1KDM4ELMNANPC1
SCHEMBL6811796 0.77 TDP1 (0.70) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6815700 0.77 ALDH1A1 (0.59) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6815929 0.77 GRM4 (0.62) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL6815195 0.76 KMT2A (0.61) HPGDALDH1A1KDM4ELMNAGAA

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 7 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
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed