SCHEMBL6962838

SCHEMBL6962838

N=C(NN)c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.51
HDAC1 Q13547 3/20 0.50
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
KDM1A O60341 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
IDO1 P14902 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL6957250 0.93 HDAC1 (0.51) PLAUHDAC1MAOAMAOBNOS1
SCHEMBL6962767 0.91 HDAC1 (0.54) HDAC1MAOAMAOBNOS1HDAC8
SCHEMBL6958147 0.91 HDAC1 (0.54) HDAC1MAOAMAOBNOS1HDAC8
SCHEMBL6957513 0.89 PLA2G10 (0.53) PLAUHDAC1LMNAALDH1A1CYP2C9
SCHEMBL6956437 0.84 PRSS1 (0.49) PLAUHDAC1MAOAMAOBLMNA
SCHEMBL6960902 0.82 NPC1 (0.57) SMN1; SMN2NPC1NFKB1RAB9AGAA
SCHEMBL3557897 0.81 F2 (0.52) HDAC1MAOAMAOBLMNAALDH1A1
SCHEMBL6962758 0.81 PLK1 (0.50) LMNAALDH1A1NPC1RAB9AGAA
SCHEMBL6961292 0.80 PLA2G4B (0.54) PLAUFFAR1
Hydrochloric Acid SCHEMBL3557093 0.79 BLM (0.54) MAOAMAOBLMNAALDH1A1CYP3A4

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