SCHEMBL6952046

SCHEMBL6952046

CCCCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
SPHK2 Q9NRA0 4/20 0.38
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PSMB5 P28074 1/20 0.37
SPHK1 Q9NYA1 2/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6957496 0.94 LPL (0.44) HSD11B1SPHK2LPLLIPGSPHK1
SCHEMBL6956763 0.94 LPL (0.44) HSD11B1SPHK2LPLLIPGSPHK1
SCHEMBL6961992 0.91 CTSS (0.42) SPHK2NPC1RAB9ACTSSCTSK
SCHEMBL6957851 0.87 IGF1R (0.39) HSD11B1
SCHEMBL6954931 0.85 IGF1R (0.38) HSD11B1
SCHEMBL6952118 0.85 IGF1R (0.38) HSD11B1
SCHEMBL2056403 0.84 NOTUM (0.47) TP53CTSSCTSK
SCHEMBL3822509 0.84 SPHK2 (0.31) SPHK2
SCHEMBL5438306 0.83 SPHK2 (0.32) SPHK2SPHK1
SCHEMBL6963004 0.83 MAOA (0.41) NPC1RAB9ATDP1L3MBTL1

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