SCHEMBL19237016

SCHEMBL19237016

NCc1cccc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 5/20 0.50
HNF4A P41235 1/20 0.49
PLG P00747 2/20 0.48
PLAU P00749 2/20 0.48
MYC P01106 1/20 0.47
BCAT2 O15382 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
FOLH1 Q04609 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
F11 P03951 1/20 0.46

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
Hydrochloric Acid SCHEMBL20593581 0.98 CFD (0.49) CFDHNF4APLGPLAUMYC
SCHEMBL5580865 0.89 CFD (0.45) CFDHNF4APLGPLAUMYC
SCHEMBL20946451 0.87 BCAT2 (0.61) CFDPLGPLAUBCAT2CHRNB2
SCHEMBL3971239 0.85 ACMSD (0.63) HNF4ANPC1RAB9ASMN1; SMN2ACMSD
SCHEMBL22071096 0.85 ACMSD (0.60) HNF4ABCAT2NPC1RAB9ASMN1; SMN2
SCHEMBL3629995 0.85 LTB4R2 (0.57) HNF4AMYCBCAT2FOLH1LTB4R2
SCHEMBL9341892 0.84 LTB4R2 (0.49) HNF4ANPC1RAB9ASMN1; SMN2ACMSD
SCHEMBL18414391 0.84 BCL2 (0.58) HNF4AMYCNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6179887 0.83 LTB4R2 (0.56) HNF4AMYCBCAT2FOLH1LTB4R2
SCHEMBL28116797 0.83 CFD (0.44) CFDPLGPLAUBCAT2SMN1; SMN2

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-2714648-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-16 EP disclosed
CN-1064042-C Intermediate of benzazepine derivative YAMANOUCHI PHARMA CO LTD (JP) 2001-04-04 CN disclosed
CN-1040748-C Benzazepine derivatives, pharmaceutical compositions and intermediates thereof YAMANOUCHI PHARMA CO LTD (JP) 1998-11-18 CN disclosed
CN-1198437-A Intermediate of benzazepine derivative YAMANOUCHI PHARMA CO LTD (JP) 1998-11-11 CN disclosed
CN-1129934-A Benzazepine derivatives, pharmaceutical compositions and intermediates thereof YAMANOUCHI PHARMA CO LTD (JP) 1996-08-28 CN disclosed