SCHEMBL7054761

SCHEMBL7054761

N#Cc1ccccc1C[NH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
FFAR1 O14842 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSB P07858 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2153612 0.80 CYP19A1 (0.48) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL2154210 0.80 SMN1; SMN2 (0.49) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL475677 0.79 CYP19A1 (0.44) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL19356915 0.78 CYP19A1 (0.47) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL5327089 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
Bromide SCHEMBL1841105 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL1110228 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL840560 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL483553 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL899 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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