SCHEMBL6960501

SCHEMBL6960501

N=C(NN)c1cccc(CCCCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
F10 P00742 2/20 0.46
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MAOA P21397 2/20 0.43
NOS1 P29475 2/20 0.42
PLAU P00749 1/20 0.42
MAOB P27338 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL6962917 0.98 F10 (0.45) PRSS1PRSS2PRSS3F10IGF1R
SCHEMBL6955519 0.98 F10 (0.45) PRSS1PRSS2PRSS3F10IGF1R
SCHEMBL6956437 0.93 PRSS1 (0.49) PRSS1PRSS2PRSS3F10MAOA
SCHEMBL6957858 0.86 SPHK2 (0.56) CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL6961019 0.86 SPHK2 (0.56) CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL6954993 0.86 SPHK2 (0.49) PRSS1PRSS2PRSS3F10CYP4F2
SCHEMBL6957250 0.85 HDAC1 (0.51) IGF1RALOX15MAOANOS1PLAU
SCHEMBL6952958 0.84 PRSS1 (0.55) PRSS1PRSS2PRSS3F10
SCHEMBL6960795 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3F10
SCHEMBL7900578 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3F10

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