SCHEMBL7900744

SCHEMBL7900744

NC(=S)c1ccccc1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 6/20 0.51
ADRB2 P07550 1/20 0.51
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7896948 0.89 MAOA (0.47) KMT2AALDH1A1ADRB2MAPTLMNA
SCHEMBL7900766 0.87 BID (0.46) KMT2AMAPTLMNAMAOAMAOB
SCHEMBL7889287 0.87 BID (0.46) KMT2AMAPTLMNAMAOAMAOB
SCHEMBL7897721 0.82 TSHR (0.49) KMT2AALDH1A1MAPTTSHRMEN1
SCHEMBL166497 0.81 ALDH1A1 (0.51) KMT2AALDH1A1ADRB2HTTMAPT
SCHEMBL940131 0.81 ALDH1A1 (0.60) KMT2AALDH1A1ADRB2HTTMAPT
Thiobenzoic Acid SCHEMBL28348944 0.79 ALDH1A1 (0.50) KMT2AALDH1A1ADRB2HTTMAPT
Hydrochloric Acid SCHEMBL28193722 0.79 ALDH1A1 (0.58) KMT2AALDH1A1ADRB2HTTMAPT
SCHEMBL14027043 0.78 PKM (0.37) KMT2AALDH1A1ADRB2LMNAL3MBTL1
SCHEMBL7896315 0.78 KMT2A (0.42) KMT2AALDH1A1HTTMAPTLMNA

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