SCHEMBL6645356

SCHEMBL6645356

N=C(N)Nc1ccc(CCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.38
▸ F2 P00734 3/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ TMPRSS6 Q8IU80 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PLG P00747 3/20 0.36
▸ PLAU P00749 3/20 0.36
▸ PLAT P00750 3/20 0.36
▸ KLKB1 P03952 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CA1 P00915 2/20 0.36

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
SCHEMBL1743186 0.83 ADRA2A (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3785285 0.83 AOC3 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1996992 0.82 F2 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL327252 0.81 LOXL2 (0.54) PRSS1ST14PLGPLAUPLAT
SCHEMBL20553484 0.81 PRSS1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL25230264 0.79 NPC1 (0.61) NPC1CA1CA2MEN1KMT2A
Hydrochloric Acid SCHEMBL7443406 0.79 LOXL2 (0.52) PRSS1PLGPLAUPLATKLKB1
Hydrochloric Acid SCHEMBL6157588 0.79 PRSS1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3772999 0.79 GRIN2D (0.58) PRSS1F2GRIN2DGRIN3BGRIN1
SCHEMBL13892098 0.79 PRSS1 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106916104-B For treating the drug of colitis 牡丹江医学院 2019-08-27 — — CN disclosed
CN-106916104-A medicine for treating colitis 牡丹江医学院 2017-07-04 — — CN disclosed
EP-1073655-B1 PHARMACEUTICALLY AVAILABLE PROTOBERBERINE SALTS DERIVATIVES, AND PROTOBERBERINE DERIVATIVES AND SALTS THEREOF HANWHA CHEMICAL CORP (KR) 2004-04-14 — — EP disclosed
EP-1073655-A1 PHARMACEUTICALLY AVAILABLE PROTOBERBERINE SALTS DERIVATIVES, AND PROTOBERBERINE DERIVATIVES AND SALTS THEREOF HANWHA CHEMICAL CORPORATION (KR) 2001-02-07 — — EP disclosed
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 — — US disclosed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 — — US disclosed
WO-1999055704-A1 PHARMACEUTICALLY AVAILABLE PROTOBERBERINE SALTS DERIVATIVES, AND PROTOBERBERINE DERIVATIVES AND SALTS THEREOF HANWHA CHEMICAL CORPORATION (KR) 1999-11-04 — — WO disclosed
US-4948808-A ENZYME INHIBITORS EISAI CO., LTD. (JP) 1990-08-14 — — US disclosed
Send feedback