SCHEMBL7051171

SCHEMBL7051171

COc1cc(Br)nc(C(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 4/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 2/20 0.50
AHR P35869 1/20 0.50

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
SCHEMBL7054037 0.77 RAB9A (0.54) HPGDHSD17B10RAB9ANPC1MEN1
SCHEMBL7051177 0.76 NPC1 (0.48) HPGDHSD17B10RAB9ANPC1KMT2A
SCHEMBL1424927 0.73 LMNA (0.51) HPGDHSD17B10KDM4ETSHRALDH1A1
SCHEMBL31492966 0.73 CYP3A4 (0.40) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL30667999 0.71 NNMT (0.44) HPGDRAB9ANPC1KDM4EGAA
SCHEMBL26684705 0.71 NNMT (0.44) HPGDRAB9ANPC1KDM4EGAA
SCHEMBL8970418 0.70 NPC1 (1.00) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL330082 0.70 NPC1 (1.00) HPGDRAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL21752426 0.70 NNMT (0.43) HPGDRAB9ANPC1KDM4EGAA
SCHEMBL19642872 0.69 ADORA3 (0.43) RAB9ANPC1MEN1KMT2AKDM4E

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-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
US-6005112-A REACTING SUBSTITUTED OR UNSUBSTITUTED PYRIDINE METAL COMPOUND WITH SUBSTITUTED ISOCYANATE OR ISOTHIOCYANATE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-12-21 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
EP-0881217-A1 PROCESS FOR PRODUCING PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-02 EP disclosed