SCHEMBL7653857

SCHEMBL7653857

COc1cc(C)c(Cl)cc1NC(=S)NC1=CC[CH]C=C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6814042 0.91 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7162115 0.81 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7656841 0.76 KMT2A (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7638965 0.76 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7665509 0.73 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7904759 0.71 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7643242 0.71 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6814929 0.71 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7161939 0.71 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7651702 0.71 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA

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