SCHEMBL7464450

SCHEMBL7464450

Nc1nc(-c2ccc(NC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 2/20 0.46
EPHX2 P34913 2/20 0.46
ITGB1 P05556 3/20 0.46
ITGA4 P13612 3/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
P2RX7 Q99572 2/20 0.45
HPGD P15428 1/20 0.44
LTA4H P09960 1/20 0.44
NAMPT P43490 1/20 0.43
CAPN1 P07384 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7467408 0.82 NPSR1 (0.50) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL13713026 0.74 ENPP2 (0.47) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3140333 0.74 ENPP2 (0.47) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL7470299 0.73 MGLL (0.62) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL7479522 0.73 KCNQ1 (0.63) MAPTALDH1A1POLB
SCHEMBL7474949 0.73 TRPV1 (0.50) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL7474942 0.73 TRPV1 (0.50) MEN1KMT2ARAB9ANPC1GAA
Hydrochloric Acid SCHEMBL7470042 0.72 MGLL (0.61) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL27511900 0.72 MEN1 (0.56) HDAC1MEN1KMT2ARAB9ANPC1
SCHEMBL7454952 0.70 KMT2A (0.77) HDAC1KMT2AGAAALDH1A1P2RX7

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 5 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