SCHEMBL6957858

SCHEMBL6957858

CCCCCCCCc1cccc(C(=N)NN)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.56
SPHK1 Q9NYA1 6/20 0.56
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL6961019 1.00 SPHK2 (0.56) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL6954993 0.94 SPHK2 (0.49) SPHK2SPHK1LPLLIPGCYP4F2
SCHEMBL6962917 0.88 F10 (0.45) SPHK2SPHK1CYP4F2CYP4A11
SCHEMBL6955519 0.88 F10 (0.45) SPHK2SPHK1CYP4F2CYP4A11
SCHEMBL6951281 0.88 KAT6A (0.44) SPHK2SPHK1CYP4F2CYP4A11
SCHEMBL16934181 0.87 SPHK2 (0.54) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL6960501 0.86 PRSS1 (0.46) SPHK2SPHK1CYP4F2CYP4A11
SCHEMBL15174533 0.84 SPHK2 (0.64) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL15173985 0.84 SPHK2 (0.64) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL6962301 0.81 SPHK2 (0.53) SPHK2SPHK1

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 4 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
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed