SCHEMBL7639317

SCHEMBL7639317

Nc1nc(-c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)N3CCOCC3)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ ATM Q13315 2/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GAA P10253 5/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ THRB P10828 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
SCHEMBL7532393 0.83 RAB9A (0.47) SMN1; SMN2ATMALDH1A1MEN1KMT2A
SCHEMBL7463048 0.72 CYP3A4 (0.57) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL7470064 0.72 CPB1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7478638 0.71 MEN1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7470299 0.71 MGLL (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7470042 0.71 MGLL (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27511900 0.70 MEN1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7637970 0.68 MEN1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7463271 0.68 RAB9A (0.60) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17065056 0.68 ALDH1A1 (0.64) SMN1; SMN2ATMALDH1A1MEN1KMT2A

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
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
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