SCHEMBL7473110

SCHEMBL7473110

CC(c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CYP3A4 P08684 5/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL7473115 1.00 LTA4H (0.46) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL7478329 0.79 KMT2A (0.46) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL7478332 0.79 KMT2A (0.46) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL16468910 0.73 ROCK1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL16468911 0.73 ROCK1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL7468312 0.73 KDM4E (0.51) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL7463048 0.72 CYP3A4 (0.57) LTA4HALDH1A1MEN1KMT2ANPC1
SCHEMBL15111088 0.69 TRPM8 (0.56) MEN1KMT2AL3MBTL1
SCHEMBL4331781 0.69 ALDH1A1 (0.73) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL21484836 0.68 ALDH1A1 (0.67) LTA4HALDH1A1KDM4EMEN1KMT2A

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 4 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-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 — — US disclosed
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