SCHEMBL7467408

SCHEMBL7467408

Nc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 5/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 3/20 0.48
FAAH O00519 3/20 0.47
EPHX2 P34913 3/20 0.47
GAA P10253 2/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LTA4H P09960 1/20 0.45
CCR4 P51679 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL7464450 0.82 HDAC1 (0.53) RAB9AKMT2ANPC1MEN1FAAH
SCHEMBL7474942 0.82 TRPV1 (0.50) RAB9AKMT2ANPC1MEN1GAA
SCHEMBL7474949 0.82 TRPV1 (0.50) RAB9AKMT2ANPC1MEN1GAA
SCHEMBL7479522 0.82 KCNQ1 (0.63) CNR2SMN1; SMN2ALDH1A1MAPTUSP2
SCHEMBL4834947 0.79 NPSR1 (0.53) NPSR1KMT2ANPC1MEN1GAA
SCHEMBL4969268 0.75 NPSR1 (0.50) NPSR1RAB9AKMT2ANPC1MEN1
SCHEMBL13713000 0.73 KDM1A (0.58) NPSR1KMT2AMEN1CNR2SMN1; SMN2
SCHEMBL3143756 0.73 KDM1A (0.58) NPSR1KMT2AMEN1CNR2SMN1; SMN2
SCHEMBL12490779 0.73 FAAH (0.51) RAB9AKMT2ANPC1MEN1FAAH
SCHEMBL4971281 0.72 MAP4K4 (0.51) NPSR1RAB9AKMT2ANPC1GAA

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