SCHEMBL1252499

SCHEMBL1252499

NCc1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.66
KMO O15229 2/20 0.61
PLAU P00749 1/20 0.59
F11 P03951 1/20 0.56
TPSB2 P20231 1/20 0.56
SUCNR1 Q9BXA5 1/20 0.56
NR4A2 P43354 1/20 0.55
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
PGGT1B P53609 1/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
BCL2 P10415 1/20 0.54
FOLH1 Q04609 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51

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
SCHEMBL1855849 0.89 KMO (0.67) CFDKMOFNTAFNTBPGGT1B
SCHEMBL31500915 0.89 FOLH1 (0.66) NR4A2FOLH1LOXL2
SCHEMBL31500919 0.89 FOLH1 (0.66) NR4A2FOLH1LOXL2
SCHEMBL61226 0.89 FOLH1 (0.66) NR4A2FOLH1LOXL2
Hydrochloric Acid SCHEMBL1853944 0.88 KMO (0.65) CFDKMOFNTAFNTBPGGT1B
SCHEMBL14496864 0.88 BCL2 (0.71) CFDRXRARXRBBCL2LOXL2
Hydrochloric Acid SCHEMBL4232340 0.87 FOLH1 (0.63) FOLH1LOXL2
Water SCHEMBL8887800 0.87 FOLH1 (0.63) FOLH1LOXL2
Isophthalic Acid SCHEMBL9858510 0.87 FOLH1 (0.58) CFDPLAUNR4A2FOLH1LOXL2
Hydrochloric Acid SCHEMBL6720898 0.86 KMO (0.62) CFDKMOFNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611692-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2009-11-03 US claimed
US-6011175-A Inhibition of farnesyltransferase UNIVERSITY OF PITTSBURGH (US) 2000-01-04 US claimed
EP-2500040-A1 Improved Gastrin Releasing Peptide Receptor-Binding Compounds Bracco Imaging S.p.A (IT) 2012-09-19 EP disclosed
EP-2281580-A2 Labeled gastrin releasing peptides (GRP) Bracco Imaging S.p.A (IT) 2011-02-09 EP disclosed
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
US-5965539-A PEPTIDOMIMETICS; ANTI-CANCER DRUGS UNIVERISTY OF PITTSBURGH (US) 1999-10-12 US disclosed
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
US-5856310-A ANTITUMOR AGENTS UNIVERSITY OF PITTSBURGH (US) 1999-01-05 US disclosed
US-5834434-A PEPTIDOMIMETICS UNIVERSITY OF PITTSBURGH (US) 1998-11-10 US disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
US-5602098-A ANTICANCER AGENT UNIVERSITY OF PITTSBURGH (US) 1997-02-11 US disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed