SCHEMBL6949516

SCHEMBL6949516

CCc1cccc(C(=N)NN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
SMYD3 Q9H7B4 1/20 0.44
KAT6A Q92794 2/20 0.41
CNR2 P34972 1/20 0.41
NOS1 P29475 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
BCL2 P10415 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39

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
SCHEMBL6951281 0.86 KAT6A (0.44) LOXL2PRSS1PRSS2PRSS3KAT6A
SCHEMBL5956199 0.84 KAT6A (0.42) LOXL2PRSS1PRSS2PRSS3SMYD3
SCHEMBL6954993 0.83 SPHK2 (0.49) LOXL2PRSS1PRSS2PRSS3NOS1
SCHEMBL20351068 0.82 PRSS1 (0.44) LOXL2PRSS1PRSS2PRSS3NOS1
SCHEMBL6961019 0.81 SPHK2 (0.56) CYP4F2CYP4A11
SCHEMBL6957858 0.81 SPHK2 (0.56) CYP4F2CYP4A11
SCHEMBL6956437 0.81 PRSS1 (0.49) LOXL2PRSS1PRSS2PRSS3NOS1
SCHEMBL6956434 0.81 PRSS1 (0.67) LOXL2PRSS1PRSS2PRSS3NPC1
SCHEMBL2853839 0.80 KDM4E (0.42) LOXL2PRSS1PRSS2PRSS3NOS1
SCHEMBL11216517 0.80 SMYD3 (0.60) LOXL2SMYD3KAT6AKDM4ENPC1

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