SCHEMBL7657935

SCHEMBL7657935

COc1cc(OC)c(NC(=S)Nc2ccc(C)cc2S)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
ALDH1A1 P00352 8/20 0.66
HPGD P15428 3/20 0.66
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
EPHX1 P07099 2/20 0.52
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL6811941 0.85 ALDH1A1 (0.74) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7165775 0.78 MAPT (0.67) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6811057 0.77 MAPT (0.71) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6814781 0.77 ALDH1A1 (0.66) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6811000 0.77 ALDH1A1 (0.63) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6814587 0.77 ALDH1A1 (0.59) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6815568 0.76 ALDH1A1 (0.69) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6819661 0.76 ALDH1A1 (0.66) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL5450055 0.76 ALDH1A1 (0.68) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL5452833 0.76 ALDH1A1 (0.64) MAPTALDH1A1HPGDMEN1KMT2A

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