SCHEMBL6961865

SCHEMBL6961865

N=C(NN)c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 2/20 0.58
HTR2B P41595 7/20 0.52
HTR3A P46098 1/20 0.52
CYP3A4 P08684 4/20 0.50
MAPT P10636 4/20 0.50
AR P10275 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1B1 Q16678 1/20 0.50
FTO Q9C0B1 1/20 0.50
MAPK1 P28482 2/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6957741 0.82 RXRA (0.50) POLHCYP3A4MAPTARMEN1
SCHEMBL6957143 0.80 ALDH1A1 (0.53) POLHCYP3A4MAPTARMEN1
SCHEMBL6960494 0.78 CSNK2A2 (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2773475 0.78 KDM4E (0.60) POLHHTR2BHTR3ACYP3A4MAPT
SCHEMBL8121953 0.78 AR (0.62) POLHHTR2BHTR3ACYP3A4MAPT
SCHEMBL6949194 0.77 HPGD (0.51) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL16688558 0.76 POLH (0.58) POLHHTR2BHTR3ACYP3A4MAPT
SCHEMBL6957654 0.76 POLH (0.55) POLHHTR2BHTR3ACYP3A4MAPT
SCHEMBL15920417 0.76 POLH (0.58) POLHHTR2BHTR3ACYP3A4MAPT
SCHEMBL15821014 0.76 POLH (0.58) POLHHTR2BHTR3ACYP3A4MAPT

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