SCHEMBL6957533

SCHEMBL6957533

CCCCCCCCCCCCCCCOc1ccc(C(=N)NN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
RAB9A P51151 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PLA2G4B P0C869 1/20 0.56
PRMT1 Q99873 3/20 0.56
F2 P00734 2/20 0.56
ST14 Q9Y5Y6 2/20 0.56
PLAU P00749 1/20 0.56
PRMT5 O14744 1/20 0.56
NR5A1 Q13285 1/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
TMPRSS2 O15393 1/20 0.56
PTP4A3 O75365 1/20 0.56

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
SCHEMBL6956710 1.00 TP53 (0.58) TP53TSHRNPC1LMNAGAA
SCHEMBL6960720 0.95 GAA (0.54) TP53TSHRNPC1LMNAGAA
SCHEMBL6961787 0.89 PLK1 (0.54) GAARAB9APRMT1F2ST14
SCHEMBL15020066 0.86 TP53 (0.59) TP53TSHRNPC1LMNAGAA
SCHEMBL6510086 0.86 TP53 (0.59) TP53TSHRNPC1LMNAGAA
SCHEMBL7341007 0.86 TP53 (0.59) TP53TSHRNPC1LMNAGAA
SCHEMBL8718224 0.84 TP53 (0.57) TP53TSHRNPC1LMNAGAA
SCHEMBL4822746 0.83 TP53 (0.69) TP53TSHRPLA2G4BSPHK1RARB
SCHEMBL3952381 0.83 TP53 (0.69) TP53TSHRPLA2G4BSPHK1RARB
SCHEMBL9242371 0.83 TP53 (0.69) TP53TSHRPLA2G4BSPHK1RARB

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