SCHEMBL7468566

SCHEMBL7468566

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.55
▸ ALDH1A1 P00352 7/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ POLB P06746 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KDM4E B2RXH2 4/20 0.52
▸ GFER P55789 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPC1 O15118 7/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MGLL Q99685 1/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL7478150 0.86 ALDH1A1 (0.52) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL7470299 0.77 MGLL (0.62) RAB9AALDH1A1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7470042 0.76 MGLL (0.61) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL7468153 0.76 ALDH1A1 (0.55) RAB9AALDH1A1POLBMAPTKDM4E
SCHEMBL14825155 0.76 RAB9A (0.75) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL27511900 0.76 MEN1 (0.56) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL7470064 0.72 CPB1 (0.48) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL6173123 0.72 RAB9A (0.61) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL7952818 0.72 RAB9A (0.46) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL126387 0.71 KMT2A (0.66) RAB9AALDH1A1KMT2AMEN1POLB

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 7 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
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 — — EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO disclosed
Send feedback