SCHEMBL7051177

SCHEMBL7051177

COc1cc(Br)nc(C(=O)NC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PDE2A O00408 3/20 0.40
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL31492966 0.78 CYP3A4 (0.40) RAB9AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1424927 0.78 LMNA (0.51) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL26684705 0.77 NNMT (0.44) NPC1RAB9AHPGDTP53HPGDS
SCHEMBL30667999 0.77 NNMT (0.44) NPC1RAB9AHPGDTP53HPGDS
SCHEMBL7051171 0.76 HPGD (0.54) NPC1RAB9AHPGDSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL21752426 0.76 NNMT (0.43) NPC1RAB9AHPGDTP53HPGDS
SCHEMBL7054569 0.74 HPGD (0.61) NPC1HPGDSMN1; SMN2TP53HPGDS
SCHEMBL5688783 0.72 GRM5 (0.55) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL1424963 0.71 ALDH1A1 (0.53) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL13753808 0.71 MAPT (0.56) SMN1; SMN2HPGDSALDH1A1KDM4EGAA

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