SCHEMBL6816827

SCHEMBL6816827

COc1cc(N2CCCCC2)c(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.53
MAPT P10636 10/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 11/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
HPGD P15428 3/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL6815863 0.99 S1PR1 (0.52) S1PR1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6814572 0.90 KMT2A (0.56) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6816829 0.83 MAPT (0.45) S1PR1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6819381 0.82 ALDH1A1 (0.44) S1PR1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL7939055 0.82 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6815241 0.81 NPSR1 (0.63) S1PR1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6815577 0.80 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL7163411 0.80 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6811241 0.80 ALDH1A1 (0.68) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6815774 0.80 NPSR1 (0.64) S1PR1MAPTCYP1A2CYP3A4CYP2C19

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-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 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-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 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-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed