SCHEMBL7900715

SCHEMBL7900715

NCCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
BACE1 P56817 3/20 0.45
TAAR1 Q96RJ0 3/20 0.44
HTR2A P28223 2/20 0.44
CYP2A6 P11509 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCAT2 O15382 1/20 0.41
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL7900737 0.90 MAOB (0.45) MAOBBACE1HTR2ABCAT2AKT2
SCHEMBL7900727 0.89 MAOA (0.49) MAOBHTR2ABCAT2AKT2
SCHEMBL7899173 0.88 TDP1 (0.45) MAOBBCAT2TDP1
SCHEMBL7900656 0.88 MAOA (0.47) MAOBHTR2ABCAT2AKT2
SCHEMBL7897892 0.86 TAAR1 (0.48) MAOBTAAR1LOXL2BCAT2
SCHEMBL7889269 0.85 PPARG (0.44)
SCHEMBL7889284 0.85 TDP1 (0.42) MAOBBCAT2TDP1
SCHEMBL7899237 0.85 LPAR1 (0.42) MAOBBCAT2
SCHEMBL7899207 0.84 BCAT2 (0.44) MAOBBCAT2NOS3NOS1
SCHEMBL7900734 0.84 CA2 (0.41) MAOBBCAT2

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