SCHEMBL7683640

SCHEMBL7683640

CN(C)c1cc(CNC(=S)Nc2ccccc2N)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC1 Q13547 5/20 0.42
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
PTGS1 P23219 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC2 Q92769 1/20 0.39

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
SCHEMBL7683637 0.85 ALDH1A1 (0.45) MYCMAXMEN1KMT2AHPGD
SCHEMBL7597481 0.82 MAPT (0.51) MYCMAXMEN1KMT2AHPGD
SCHEMBL6816793 0.78 TLR8 (0.51) MYCMAXMEN1KMT2AHPGD
SCHEMBL7597477 0.77 KDM4E (0.48) MYCMAXMEN1KMT2AHPGD
SCHEMBL7737897 0.72 LMNA (0.46) MYCMAXMEN1KMT2AHPGD
SCHEMBL6814058 0.71 MAPT (0.55) MYCMAXMEN1KMT2AHPGD
SCHEMBL6811566 0.70 TLR8 (0.48) MYCMAXMEN1KMT2AMAPT
SCHEMBL6816798 0.67 TLR8 (0.50) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL7639482 0.67 MAPT (0.47) MEN1KMT2AHPGDMAPTGAA
SCHEMBL7596527 0.66 ALDH1A1 (0.68) MEN1KMT2AHPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed