SCHEMBL6957193

SCHEMBL6957193

COCCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
PPARG P37231 2/20 0.46
PTPN5 P54829 1/20 0.44
AR P10275 2/20 0.42
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ACHE P22303 2/20 0.40
MME P08473 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CNR2 P34972 1/20 0.40
KDM1A O60341 1/20 0.40
GBA1 P04062 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
SCHEMBL6960974 0.91 FFAR1 (0.49) ESR2FFAR1AKR1B1S1PR1S1PR3
SCHEMBL6961938 0.90 FFAR1 (0.48) ESR2FFAR1AKR1B1S1PR1S1PR3
SCHEMBL6963110 0.88 FFAR1 (0.47) ESR2FFAR1AKR1B1S1PR1S1PR3
SCHEMBL6953214 0.84 ESR2 (0.59) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL6961928 0.82 PPARG (0.59) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL2545 0.81 L3MBTL1 (0.47) ESR2FFAR1AKR1B1S1PR1S1PR3
SCHEMBL6957048 0.81 FFAR1 (0.55) ESR2FFAR1AKR1B1S1PR1S1PR3
SCHEMBL6952546 0.81 FFAR1 (0.57) ESR2FFAR1AKR1B1S1PR1S1PR3
Hydrochloric Acid SCHEMBL2743 0.80 L3MBTL1 (0.49) ESR2FFAR1AKR1B1S1PR1S1PR3
SCHEMBL6949108 0.80 ESR2 (0.62) ESR2FFAR1AKR1B1PPARGPTPN5

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