SCHEMBL6954993

SCHEMBL6954993

CCCCc1cccc(C(=N)NN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
XIAP P98170 1/20 0.41
NOS1 P29475 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40

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
SCHEMBL6957858 0.94 SPHK2 (0.56) SPHK2SPHK1LPLLIPGCYP4F2
SCHEMBL6961019 0.94 SPHK2 (0.56) SPHK2SPHK1LPLLIPGCYP4F2
SCHEMBL6951281 0.90 KAT6A (0.44) SPHK2SPHK1CYP4F2CYP4A11GRIN2D
SCHEMBL6960501 0.86 PRSS1 (0.46) SPHK2SPHK1CYP4F2CYP4A11NOS1
SCHEMBL23588058 0.86 SPHK2 (0.47) SPHK2SPHK1LPLLIPGCYP4F2
SCHEMBL6962917 0.84 F10 (0.45) SPHK2SPHK1CYP4F2CYP4A11NOS1
SCHEMBL6955519 0.84 F10 (0.45) SPHK2SPHK1CYP4F2CYP4A11NOS1
SCHEMBL6949516 0.83 LOXL2 (0.44) CYP4F2CYP4A11GRIN2DGRIN3BGRIN1
SCHEMBL6956437 0.82 PRSS1 (0.49) GRIN1GRIN2BNOS1LOXL2PRSS1
SCHEMBL28277477 0.82 PRSS1 (0.61) SPHK2SPHK1GRIN2DGRIN3BGRIN1

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