SCHEMBL7474949

SCHEMBL7474949

Nc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)O)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
KCNQ1 P51787 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
UCHL1 P09936 1/20 0.46
USP30 Q70CQ3 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL7474942 1.00 TRPV1 (0.50) TRPV1KCNQ1RAB9ANPC1SMN1; SMN2
SCHEMBL7479522 0.89 KCNQ1 (0.63) TRPV1KCNQ1SMN1; SMN2CNR2ALDH1A1
SCHEMBL7467408 0.82 NPSR1 (0.50) TRPV1RAB9ANPC1SMN1; SMN2CNR2
SCHEMBL4723829 0.81 CNR2 (0.68) TRPV1KCNQ1RAB9ANPC1SMN1; SMN2
SCHEMBL4724306 0.80 KCNQ1 (0.55) KCNQ1NPC1SMN1; SMN2CNR2ALDH1A1
SCHEMBL2442864 0.80 HTT (0.54) NPC1ALDH1A1MEN1KMT2APOLB
SCHEMBL14664042 0.80 FAAH (0.49) TRPV1KCNQ1RAB9ANPC1SMN1; SMN2
SCHEMBL16496282 0.78 ALDH1A1 (0.50) NPC1ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL13256798 0.77 KCNQ1 (0.65) KCNQ1RAB9ASMN1; SMN2CNR2ALDH1A1
SCHEMBL16495812 0.77 CYP2C9 (0.51) NPC1ALDH1A1MEN1KMT2AHSD17B10

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-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
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