SCHEMBL7470064

SCHEMBL7470064

Nc1nc(-c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C3CCCCC3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.48
▸ MEN1 O00255 9/20 0.46
▸ KMT2A Q03164 9/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LTA4H P09960 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ GSTO1 P78417 1/20 0.40

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
SCHEMBL7952818 0.92 RAB9A (0.46) CPB1MEN1KMT2ARAB9ANPC1
SCHEMBL7463048 0.80 CYP3A4 (0.57) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7478638 0.80 MEN1 (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7532393 0.79 RAB9A (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7471959 0.74 KMT2A (0.54) CPB1MEN1KMT2ARAB9ANPC1
SCHEMBL7468566 0.72 RAB9A (0.55) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7639317 0.72 SMN1; SMN2 (0.54) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7470299 0.72 MGLL (0.62) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL27511211 0.72 RAB9A (0.59) MEN1KMT2ARAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL7470042 0.71 MGLL (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1

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 6 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-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
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