SCHEMBL7478150

SCHEMBL7478150

O=C(O)Nc1nc(-c2ccc(NC(=O)CNCC3CCCCC3)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ GFER P55789 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ HTT P42858 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7468566 0.86 RAB9A (0.55) ALDH1A1KDM4EKMT2AMEN1GFER
SCHEMBL7473919 0.77 RAB9A (0.55) ALDH1A1KMT2AMEN1GFERNPC1
SCHEMBL19357130 0.77 LMNA (0.65) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL4749855 0.71 MEN1 (0.59) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL14102511 0.71 LMNA (0.65) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL3823589 0.70 MAPT (0.72) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8446308 0.69 KMT2A (0.62) ALDH1A1KMT2AMEN1GFERNPC1
SCHEMBL7474481 0.69 ROCK1 (0.57) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL2753301 0.69 LMNA (0.71) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL4410774 0.68 TRPA1 (0.58) KDM4EKMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 — — EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 — — US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 — — US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 — — US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 — — US disclosed
Send feedback