SCHEMBL7939406

SCHEMBL7939406

O=C(Nc1ccccc1)C(F)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 5/20 0.61
GAA P10253 4/20 0.61
ALDH1A1 P00352 3/20 0.61
ATM Q13315 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
HSP90AA1 P07900 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
GPR55 Q9Y2T6 2/20 0.58
POLB P06746 2/20 0.57
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52

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
SCHEMBL1703604 0.83 POLB (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL4296111 0.83 MAPT (0.85) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6977552 0.82 ALDH1A1 (0.53) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9676988 0.79 POLB (0.57) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9518770 0.79 MAPT (0.72) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL29077383 0.79 POLB (0.57) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL11758471 0.79 MAPT (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL11174713 0.79 MEN1 (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL10948584 0.79 MAPT (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL998876 0.79 MAPT (0.61) MEN1KMT2AMAPTGAAALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1138657-A1 Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-04 EP disclosed
US-6270843-B1 REACTING A SALT COMPRISING ANIONIC FORM OF SUBSTITUENT WITH AN ELECTROPHILIC FLUORINATION AGENT TO PROVIDE AN ELECTROPHILE COMPRISING CATIONIC FORM OF SUBSTITUENT; ELECTROPHILICALLY SUBSTITUTING ELECTROPHILE ON SUBSTRATE AIR PRODUCTS AND CHEMICALS, INC. 2001-08-07 US disclosed
US-4175948-A HERBICIDES, POSTMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-11-27 US disclosed
US-4123252-A Methoxy substituted cycloalkanapyrazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-31 US disclosed
US-4120693-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-17 US disclosed
US-4111681-A CYCLOALKANAPYRAZOLE-3-CARBONITRILE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-09-05 US disclosed
US-4108628-A Cycloalkanopyrazole herbicides mixtures E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-08-22 US disclosed
US-4059434-A Cycloalkanapyrazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-11-22 US disclosed
US-4042373-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-16 US disclosed
US-4033751-A 2-(Substituted-phenyl)-hexahydro- and tetrahydro-3-(2H)-cinnolinones as herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-07-05 US disclosed
US-4032326-A HERBICIDAL 2-SUBSTITUTED ARYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE-1,3-DIONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-28 US disclosed
US-4003926-A Herbicidal 2-arylaminocarbonyl-1-cyclohexene-1-carboxylic acids and salts thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-18 US disclosed
US-4001272-A HERBICIDAL 2-FLUORO-4-HALO-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE-1,3-DIONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US disclosed
US-3990880-A Herbicidal isobenzofuranones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-09 US disclosed
US-3987057-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-10-19 US disclosed