SCHEMBL7053510

SCHEMBL7053510

N#Cc1cccc(C[NH])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ADRA1D P25100 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
DAO P14920 1/20 0.42
IDH1 O75874 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL2153847 0.82 HRH3 (0.59) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2154019 0.82 GLA (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL5090668 0.80 GLA (0.51) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL30646949 0.79 GLA (0.51) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL253203 0.79 GLA (0.51) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL3063453 0.78 ENPP2 (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL126484 0.78 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL8348137 0.78 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL92972 0.78 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
Water SCHEMBL5709133 0.78 LOXL2 (0.61) GLACYP19A1CYP11B1CYP11B2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US claimed
US-6576664-B1 1-amido-2-hydroxy-substituted-indanes; suppressing production of tumor necrosis factor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-10 US disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US disclosed