SCHEMBL6961344

SCHEMBL6961344

N=C(NN)c1ccccc1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
ADRB2 P07550 1/20 0.51
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.44
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.41
NPC1 O15118 1/20 0.41
KDM1A O60341 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 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
SCHEMBL6955302 0.90 MAOA (0.43) ALDH1A1ADRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL6961297 0.89 SIGMAR1 (0.43) ALDH1A1ADRB2MAPTMAOAMAOB
SCHEMBL6958346 0.89 SIGMAR1 (0.43) ALDH1A1ADRB2MAPTMAOAMAOB
SCHEMBL6955079 0.84 CYP2D6 (0.49) ALDH1A1MAPTL3MBTL1TSHRCYP3A4
SCHEMBL22994602 0.81 ALDH1A1 (0.71) ALDH1A1ADRB2MAPTHTTLMNA
SCHEMBL6958331 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL6955710 0.78 CYP3A4 (0.42) ALDH1A1MAPTHTTKDM4EL3MBTL1
SCHEMBL6961935 0.77 GAA (0.46) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL6962838 0.77 PLAU (0.51) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6955322 0.76 LIPG (0.50) MAPTHTTKMT2ATSHRCYP3A4

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