SCHEMBL6960774

SCHEMBL6960774

CCc1ccc(C(=N)NN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
IDO1 P14902 2/20 0.47
PLK1 P53350 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PLAU P00749 2/20 0.42
PRSS1 P07477 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NQO2 P16083 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MAPT P10636 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
F10 P00742 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
SCHEMBL6962758 0.84 PLK1 (0.50) PLK1ALDH1A1TDP1LPLLIPG
SCHEMBL2849627 0.82 MPO (0.39) ALDH1A1PLAUPRSS1F2MAPT
SCHEMBL6951226 0.81 PLK1 (0.53) SMN1; SMN2PLK1ALDH1A1
SCHEMBL24258314 0.81 LOXL2 (0.59) PLAUPRSS1PLGPLATKLKB1
SCHEMBL18975457 0.81 PLK1 (0.59) SMN1; SMN2IDO1PLK1ALDH1A1PLAU
SCHEMBL6962301 0.78 SPHK2 (0.53) ALDH1A1MAPT
SCHEMBL6951086 0.78 SPHK2 (0.53) ALDH1A1MAPT
SCHEMBL6949516 0.77 LOXL2 (0.44) SMN1; SMN2IDO1ALDH1A1PRSS1LOXL2
SCHEMBL18977924 0.77 SMN1; SMN2 (0.44) SMN1; SMN2IDO1PLK1ALDH1A1PLAU
SCHEMBL1535943 0.77 PLK1 (0.70) SMN1; SMN2PLK1ALDH1A1TDP1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407982-B2 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2008-08-05 US disclosed
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