SCHEMBL7470299

SCHEMBL7470299

Nc1nc(-c2ccc(NC(=O)CNCc3ccccc3)cc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
RECQL P46063 1/20 0.57
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 6/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.55
PKM P14618 1/20 0.55
LTA4H P09960 1/20 0.53
CETP P11597 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NAMPT P43490 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
Hydrochloric Acid SCHEMBL7470042 0.99 MGLL (0.61) MGLLRECQLMEN1KMT2ARAB9A
SCHEMBL27511900 0.89 MEN1 (0.56) MGLLMEN1KMT2ARAB9ANPC1
SCHEMBL7463271 0.89 RAB9A (0.60) MGLLMEN1KMT2ARAB9ANPC1
SCHEMBL27511211 0.81 RAB9A (0.59) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14026892 0.81 ELOVL1 (0.72) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14605463 0.79 ROCK2 (0.67) MGLLRECQLALDH1A1MAPTGAA
SCHEMBL7466730 0.79 LTA4H (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7468437 0.79 LTA4H (0.66) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7637970 0.78 MEN1 (0.50) MGLLMEN1KMT2ARAB9ANPC1
SCHEMBL14825155 0.77 RAB9A (0.75) 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 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