SCHEMBL4671502

SCHEMBL4671502

Clc1ccc2c(c1)N=N[N]2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
NOTUM Q6P988 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
DYRK1A Q13627 1/20 0.32
TSHR P16473 6/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP2A6 P11509 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 2/20 0.31
AHR P35869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10469489 0.72 MAPK13 (0.31) DYRK1AAHRMAPK1
SCHEMBL17664095 0.63 TP53 (0.36) TP53NOTUMF7F3DYRK1A
SCHEMBL207169 0.62 TP53 (0.35) TP53F7F3DYRK1ATSHR
SCHEMBL8650493 0.62 CYP2A6 (0.32) ALDH1A1TDP1ALOX15CYP2A6AHR
SCHEMBL10469300 0.62 NQO2 (0.37) TP53ALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL2327323 0.62 TP53 (0.35) TP53F7F3DYRK1ATSHR
SCHEMBL1387779 0.62 NQO2 (0.33)
SCHEMBL14743082 0.62 S100A4 (0.44) TP53F7F3DYRK1ATSHR
SCHEMBL209538 0.60 TP53 (0.33) TP53F7F3DYRK1ATSHR
SCHEMBL3653171 0.59 TSHR (0.39) TP53TSHRALDH1A1CYP3A4TDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
US-5541193-A ORGAN TRANSPLANTS ABBOTT LABORATORIES (US) 1996-07-30 US claimed
US-4052373-A O-AMINOESTER FUJI PHOTO FILM CO., LTD. (JA) 1977-10-04 US claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed
US-5541193-A ORGAN TRANSPLANTS ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
WO-1994021258-A1 HETEROCYCLE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
US-4808708-A CHEMICAL INTERMEDIATES FOR POLYNUCLEOTIDES TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-02-28 US disclosed
US-4427768-A N-ACYLOXY-SUBSTITUTED NITROGEN COMPOUNDS, SILVER HALIDE PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1984-01-24 US disclosed
US-4052373-A O-AMINOESTER FUJI PHOTO FILM CO., LTD. (JA) 1977-10-04 US disclosed