SCHEMBL6961992

SCHEMBL6961992

CCCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
NOTUM Q6P988 1/20 0.35
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33
HTR7 P34969 2/20 0.33
SLC5A1 P13866 2/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL6952046 0.91 HSD11B1 (0.39) CTSSCTSKNPC1RAB9ASPHK2
SCHEMBL6957496 0.88 LPL (0.44) SPHK2
SCHEMBL6956763 0.88 LPL (0.44) SPHK2
SCHEMBL2056403 0.87 NOTUM (0.47) CTSSCTSKNOTUMIDO1NISCH
SCHEMBL6963004 0.86 MAOA (0.41) NPC1RAB9ABACE1
SCHEMBL8336907 0.83 NOTUM (0.32) NOTUMIDO1NISCH
SCHEMBL6957851 0.83 IGF1R (0.39)
SCHEMBL6952118 0.82 IGF1R (0.38) MAPT
SCHEMBL6954931 0.82 IGF1R (0.38) MAPT
SCHEMBL7810819 0.81 CDK8 (0.41)

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