SCHEMBL7889248

SCHEMBL7889248

COc1ccc(COCCCc2ccc(-c3ccccc3C(N)=S)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
LPAR1 Q92633 4/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CALM1 P0DP23 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
BRS3 P32247 1/20 0.41
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
MAOB P27338 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7897813 0.97 L3MBTL1 (0.60) L3MBTL1TDP1LPAR1MEN1KMT2A
SCHEMBL7896344 0.96 L3MBTL1 (0.62) L3MBTL1TDP1LPAR1MEN1KMT2A
SCHEMBL7900729 0.93 TDP1 (0.48) L3MBTL1TDP1LPAR1MEN1KMT2A
SCHEMBL7889271 0.89 L3MBTL1 (0.45) L3MBTL1TDP1LPAR1LTB4R2LMNA
SCHEMBL7896330 0.86 L3MBTL1 (0.50) L3MBTL1TDP1LPAR1GBA1UGCG
SCHEMBL7889293 0.85 L3MBTL1 (0.52) L3MBTL1TDP1LPAR1GBA1UGCG
SCHEMBL7897893 0.83 LTB4R2 (0.41) LPAR1BRS3LTB4R2ALDH1A1LMNA
SCHEMBL7896978 0.82 L3MBTL1 (0.38) L3MBTL1TDP1LPAR1BRS3ALDH1A1
SCHEMBL1180921 0.81 ABL1 (0.51) L3MBTL1MAOBALDH1A1LMNASMN1; SMN2
SCHEMBL7896338 0.79 LTB4R2 (0.40) LPAR1BRS3LTB4R2ALDH1A1

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
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