SCHEMBL6957513

SCHEMBL6957513

N=C(NN)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
LMNA P02545 1/20 0.48
CALM1 P0DP23 1/20 0.46
SLC22A2 O15244 1/20 0.43
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PLAU P00749 1/20 0.40
SRD5A2 P31213 1/20 0.40
CYP2C9 P11712 1/20 0.40
F2 P00734 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 2/20 0.39
LTA4H P09960 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL6962838 0.89 PLAU (0.51) PLA2G10PLA2G2ALMNAALDH1A1MAPT
SCHEMBL6957250 0.85 HDAC1 (0.51) PLAUNOS1HDAC1
SCHEMBL6962767 0.84 HDAC1 (0.54) MAPTNOS1HDAC1
SCHEMBL6956434 0.84 PRSS1 (0.67) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL6958147 0.84 HDAC1 (0.54) MAPTNOS1HDAC1
SCHEMBL3557897 0.81 F2 (0.52) PRSS1PRSS2PRSS3LMNAALDH1A1
Iodide SCHEMBL6313064 0.79 F2 (0.50) PRSS1PRSS2PRSS3LMNAALDH1A1
Hydrochloric Acid SCHEMBL3557093 0.79 BLM (0.54) PRSS1PRSS2PRSS3LMNAALDH1A1
SCHEMBL5471298 0.78 PLA2G10 (0.66) PLA2G10PLA2G2ALMNAALDH1A1MAPT
SCHEMBL2849627 0.78 MPO (0.39) PRSS1PRSS2PRSS3LMNAALDH1A1

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-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed