SCHEMBL7653860

SCHEMBL7653860

COc1cc(OC)c(NC(=S)NC2=CC[CH]C=C2C#N)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
MAPT P10636 7/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CHEK1 O14757 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7655541 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7659171 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7658699 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6814042 0.74 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL5450055 0.70 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6812133 0.70 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7904759 0.69 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7661245 0.69 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6814960 0.68 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6815156 0.68 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 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