SCHEMBL7463271

SCHEMBL7463271

Nc1nc(-c2ccc(NC(=O)CCNCc3ccccc3)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
POLB P06746 2/20 0.60
NPC1 O15118 6/20 0.55
LMNA P02545 3/20 0.53
PKM P14618 1/20 0.53
LTA4H P09960 1/20 0.51
MGLL Q99685 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CA9 Q16790 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL27511211 0.90 RAB9A (0.59) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7470299 0.89 MGLL (0.62) RAB9AMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL7470042 0.88 MGLL (0.61) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL27511900 0.82 MEN1 (0.56) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7468437 0.77 LTA4H (0.66) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL14825155 0.76 RAB9A (0.75) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL18114095 0.74 MEN1 (0.74) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7470428 0.73 ROCK1 (0.64) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7466407 0.72 MEN1 (0.55) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7466421 0.72 MEN1 (0.55) RAB9AMEN1KMT2AALDH1A1MAPT

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