SCHEMBL7900737

SCHEMBL7900737

NCCCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
AKT2 P31751 1/20 0.42
MAOA P21397 1/20 0.42
LPAR1 Q92633 3/20 0.41
HTR2A P28223 1/20 0.41
BCAT2 O15382 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.38
BRS3 P32247 2/20 0.37
BACE1 P56817 1/20 0.36
ESR1 P03372 1/20 0.36
CYP19A1 P11511 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL7900727 0.95 MAOA (0.49) MAOBAKT2MAOALPAR1HTR2A
SCHEMBL7900656 0.94 MAOA (0.47) MAOBAKT2MAOALPAR1HTR2A
SCHEMBL7900715 0.90 MAOB (0.56) MAOBAKT2HTR2ABCAT2BACE1
SCHEMBL7899237 0.89 LPAR1 (0.42) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7900734 0.88 CA2 (0.41) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7900739 0.86 BRS3 (0.49) LTB4R2BRS3
SCHEMBL7900740 0.86 LPAR1 (0.40) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7889289 0.86 CA2 (0.43) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7899173 0.85 TDP1 (0.45) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7897049 0.85 LPAR1 (0.42) MAOBLPAR1BCAT2LTB4R2BRS3

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