SCHEMBL6962967

SCHEMBL6962967

Cc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGDS O60760 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
PDK2 Q15119 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL709834 0.84 BCAT2 (0.63) BCAT2TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL6004326 0.81 BCAT2 (0.71) BCAT2NPC1RAB9ATSHRKMT2A
SCHEMBL20778204 0.81 BCAT2 (0.46) BCAT2NPC1RAB9AHPGDSTP53
SCHEMBL8343625 0.81 SLC6A4 (0.53) BCAT2NPC1RAB9AKMT2AMEN1
SCHEMBL1180921 0.80 ABL1 (0.51) BCAT2NPC1RAB9ATP53PKM
SCHEMBL7896340 0.80 SMN1; SMN2 (0.52) BCAT2TP53SMN1; SMN2SLC6A3SLC6A4
SCHEMBL7899207 0.79 BCAT2 (0.44) BCAT2TSHRPDK2LTB4R2MAOB
SCHEMBL13964794 0.79 BCAT2 (0.43) BCAT2TP53PKMTSHRKMT2A
SCHEMBL9463814 0.79 CA1 (0.55) BCAT2RAB9ATP53KMT2AMEN1
SCHEMBL7896378 0.78 BCAT2 (0.43) BCAT2TSHRKMT2AMEN1SMN1; SMN2

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